Wednesday, September 5, 2012

All Chemical Compounds Information




Product OPENEYE NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylammonio)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl]ammonium
CAS Name: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylammonio)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl]ammonium
IUPAC NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylazaniumyl)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylazaniumyl)propyl]-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propyl]azanium
MOLECULAR FORMULA: C35H53N4S2+3
MOLECULAR WEIGHT: 593.95212
SMILES: CC[N+](CC)(CC)CCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCC[N+](CC)(CC)CC
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Product OPENEYE NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylammonio)propyl]-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]ammonium
CAS Name: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylammonio)propyl]-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]ammonium
IUPAC NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylazaniumyl)propyl]-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[(2Z)-2-[(E)-3-[3-[3-(triethylazaniumyl)propyl]-1,3-benzoxazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]azanium
MOLECULAR FORMULA: C35H53N4O2+3
MOLECULAR WEIGHT: 561.82092
SMILES: CC[N+](CC)(CC)CCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCC[N+](CC)(CC)CC
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Product OPENEYE NAME: triethyl-[3-(4-methylquinolin-1-ium-1-yl)propyl]ammonium
CAS Name: triethyl-[3-(4-methyl-1-quinolin-1-iumyl)propyl]ammonium
IUPAC NAME: triethyl-[3-(4-methylquinolin-1-ium-1-yl)propyl]azanium
SYSTEMATIC NAME: triethyl-[3-(4-methylquinolin-1-ium-1-yl)propyl]azanium
MOLECULAR FORMULA: C19H30N2+2
MOLECULAR WEIGHT: 286.4549
SMILES: CC[N+](CC)(CC)CCC[N+]1=CC=C(C2=CC=CC=C21)C
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Product OPENEYE NAME: triethyl-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium
CAS Name: triethyl-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium
IUPAC NAME: triethyl-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium
SYSTEMATIC NAME: triethyl-[3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium
MOLECULAR FORMULA: C17H28N2S+2
MOLECULAR WEIGHT: 292.48262
SMILES: CC[N+](CC)(CC)CCC[N+]1=C(SC2=CC=CC=C21)C
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Product OPENEYE NAME: triethyl-[3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propyl]ammonium
CAS Name: triethyl-[3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propyl]ammonium
IUPAC NAME: triethyl-[3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propyl]azanium
SYSTEMATIC NAME: triethyl-[3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propyl]azanium
MOLECULAR FORMULA: C17H28N2O+2
MOLECULAR WEIGHT: 276.41702
SMILES: CC[N+](CC)(CC)CCC[N+]1=C(OC2=CC=CC=C21)C
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Product OPENEYE NAME: triethyl-[3-[4-[(E,3E)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]ammonium
CAS Name: triethyl-[3-[4-[(E,3E)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]propyl]ammonium
IUPAC NAME: triethyl-[3-[4-[(E,3E)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[4-[(E,3E)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium
MOLECULAR FORMULA: C44H67N3S+2
MOLECULAR WEIGHT: 670.08788
SMILES: CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCC[N+](CC)(CC)CC
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Product OPENEYE NAME: triethyl-[3-[2-[(E,3Z)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propyl]ammonium
CAS Name: triethyl-[3-[2-[(E,3Z)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propyl]ammonium
IUPAC NAME: triethyl-[3-[2-[(E,3Z)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[2-[(E,3Z)-3-(3-hexadecyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propyl]azanium
MOLECULAR FORMULA: C42H65N3S2+2
MOLECULAR WEIGHT: 676.1156
SMILES: CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCC[N+](CC)(CC)CC
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Product OPENEYE NAME: triethyl-[3-[(2Z)-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]ammonium
CAS Name: triethyl-[3-[(2Z)-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]ammonium
IUPAC NAME: triethyl-[3-[(2Z)-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[(2Z)-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazol-3-yl]propyl]azanium
MOLECULAR FORMULA: C42H65N3OS+2
MOLECULAR WEIGHT: 660.05
SMILES: CCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4O3)CCC[N+](CC)(CC)CC
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Product OPENEYE NAME: triethyl-[3-[4-[(E,3Z)-3-(1-hexadecyl-4-quinolylidene)prop-1-enyl]pyridin-1-ium-1-yl]propyl]ammonium
CAS Name: triethyl-[3-[4-[(E,3Z)-3-(1-hexadecyl-4-quinolinylidene)prop-1-enyl]-1-pyridin-1-iumyl]propyl]ammonium
IUPAC NAME: triethyl-[3-[4-[(E,3Z)-3-(1-hexadecylquinolin-4-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[4-[(E,3Z)-3-(1-hexadecylquinolin-4-ylidene)prop-1-enyl]pyridin-1-ium-1-yl]propyl]azanium
MOLECULAR FORMULA: C42H67N3+2
MOLECULAR WEIGHT: 614.00148
SMILES: CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC)/C3=CC=CC=C31
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Product OPENEYE NAME: triethyl-[3-[4-[(E,3E)-3-(1-hexadecyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]ammonium
CAS Name: triethyl-[3-[4-[(E,3E)-3-(1-hexadecyl-4-quinolinylidene)prop-1-enyl]-1-quinolin-1-iumyl]propyl]ammonium
IUPAC NAME: triethyl-[3-[4-[(E,3E)-3-(1-hexadecylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium
SYSTEMATIC NAME: triethyl-[3-[4-[(E,3E)-3-(1-hexadecylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium
MOLECULAR FORMULA: C46H69N3+2
MOLECULAR WEIGHT: 664.06016
SMILES: CCCCCCCCCCCCCCCCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CCC[N+](CC)(CC)CC)/C4=CC=CC=C41
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Product OPENEYE NAME: methyl 2-[12,18-diethyl-7,8-dihydroxy-8-(2-methoxy-2-oxo-ethyl)-3,7,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl]acetate
CAS Name: 2-[12,18-diethyl-7,8-dihydroxy-8-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[12,18-diethyl-7,8-dihydroxy-8-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-23,24-dihydroporphyrin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[12,18-diethyl-8-(2-methoxy-2-oxidanylidene-ethyl)-3,7,13,17-tetramethyl-7,8-bis(oxidanyl)-23,24-dihydroporphyrin-2-yl]ethanoate
MOLECULAR FORMULA: C34H40N4O6
MOLECULAR WEIGHT: 600.7046
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC(=O)OC)C)(C)O)(CC(=O)OC)O)CC)C)C
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Product OPENEYE NAME: methyl 3-[7,8-dihydroxy-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-21,23-dihydro-7H-porphyrin-2-yl]propanoate
CAS Name: 3-[7,8-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydro-7H-porphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[7,8-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydro-7H-porphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-7,8-bis(oxidanyl)-21,23-dihydro-7H-porphyrin-2-yl]propanoate
MOLECULAR FORMULA: C32H36N4O6
MOLECULAR WEIGHT: 572.65144
SMILES: CC1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(C)O)O
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Product OPENEYE NAME: methyl 3-[7,8-dihydroxy-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-21,23-dihydro-8H-porphyrin-2-yl]propanoate
CAS Name: 3-[7,8-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,23-dihydro-8H-porphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[7,8-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,23-dihydro-8H-porphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-7,8-bis(oxidanyl)-21,23-dihydro-8H-porphyrin-2-yl]propanoate
MOLECULAR FORMULA: C32H36N4O6
MOLECULAR WEIGHT: 572.65144
SMILES: CC1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(C(C(=N5)C=C1N2)O)(C)O)C)CCC(=O)OC)C(=C3C)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,8,13,13,17-hexamethyl-12-oxo-21,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[18-(3-methoxy-3-oxopropyl)-3,7,8,13,13,17-hexamethyl-12-oxo-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,8,13,13,17-hexamethyl-12-oxo-21,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,8,13,13,17-hexamethyl-12-oxidanylidene-21,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C34H38N4O5
MOLECULAR WEIGHT: 582.68932
SMILES: CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(C3=O)(C)C)C
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Product OPENEYE NAME: methyl 2-[17,18-dihydroxy-12-(2-methoxy-2-oxo-ethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-21,22-dihydroporphyrin-2-yl]acetate
CAS Name: 2-[17,18-dihydroxy-12-(2-methoxy-2-oxoethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-21,22-dihydroporphyrin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[17,18-dihydroxy-12-(2-methoxy-2-oxoethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-21,22-dihydroporphyrin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[12-(2-methoxy-2-oxidanylidene-ethyl)-3,8,13,18-tetramethyl-17,18-bis(oxidanyl)-7,17-dipentyl-21,22-dihydroporphyrin-2-yl]ethanoate
MOLECULAR FORMULA: C40H52N4O6
MOLECULAR WEIGHT: 684.86408
SMILES: CCCCCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC(=O)OC)C(C4(C)O)(CCCCC)O)N3)CC(=O)OC)C
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Product OPENEYE NAME: methyl 2-[12,13-dihydroxy-12-(2-methoxy-2-oxo-ethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-22,24-dihydroporphyrin-2-yl]acetate
CAS Name: 2-[12,13-dihydroxy-12-(2-methoxy-2-oxoethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-22,24-dihydroporphyrin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[12,13-dihydroxy-12-(2-methoxy-2-oxoethyl)-3,8,13,18-tetramethyl-7,17-dipentyl-22,24-dihydroporphyrin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[12-(2-methoxy-2-oxidanylidene-ethyl)-3,8,13,18-tetramethyl-12,13-bis(oxidanyl)-7,17-dipentyl-22,24-dihydroporphyrin-2-yl]ethanoate
MOLECULAR FORMULA: C40H52N4O6
MOLECULAR WEIGHT: 684.86408
SMILES: CCCCCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(C(C(=N5)C=C1N2)(C)O)(CC(=O)OC)O)C)CCCCC)C(=C3CC(=O)OC)C)C
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Product OPENEYE NAME: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,8,12,12,17-hexamethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[18-(3-methoxy-3-oxopropyl)-3,7,8,12,12,17-hexamethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,8,12,12,17-hexamethyl-13-oxo-21,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,8,12,12,17-hexamethyl-13-oxidanylidene-21,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C34H38N4O5
MOLECULAR WEIGHT: 582.68932
SMILES: CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(=O)C3(C)C)C
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Product OPENEYE NAME: methyl 3-[17-(3-methoxy-3-oxo-propyl)-3,7,8,12,13,17-hexamethyl-18-oxo-21,23-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[17-(3-methoxy-3-oxopropyl)-3,7,8,12,13,17-hexamethyl-18-oxo-21,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[17-(3-methoxy-3-oxopropyl)-3,7,8,12,13,17-hexamethyl-18-oxo-21,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[17-(3-methoxy-3-oxidanylidene-propyl)-3,7,8,12,13,17-hexamethyl-18-oxidanylidene-21,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C34H38N4O5
MOLECULAR WEIGHT: 582.68932
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)C)C)CCC(=O)OC)C(=O)C3(C)CCC(=O)OC)C
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Product OPENEYE NAME: methyl 2-[12,17-diethyl-8-(2-methoxy-2-oxo-ethyl)-3,7,13,17-tetramethyl-18-oxo-21,23-dihydroporphyrin-2-yl]acetate
CAS Name: 2-[12,17-diethyl-8-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-18-oxo-21,23-dihydroporphyrin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[12,17-diethyl-8-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-18-oxo-21,23-dihydroporphyrin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[12,17-diethyl-8-(2-methoxy-2-oxidanylidene-ethyl)-3,7,13,17-tetramethyl-18-oxidanylidene-21,23-dihydroporphyrin-2-yl]ethanoate
MOLECULAR FORMULA: C34H38N4O5
MOLECULAR WEIGHT: 582.68932
SMILES: CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(C5=O)(C)CC)N4)CC(=O)OC)C)C)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[12,18-diethyl-8-(2-methoxy-2-oxo-ethyl)-3,8,13,17-tetramethyl-7-oxo-23,24-dihydroporphyrin-2-yl]acetate
CAS Name: 2-[12,18-diethyl-8-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-7-oxo-23,24-dihydroporphyrin-2-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[12,18-diethyl-8-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-7-oxo-23,24-dihydroporphyrin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[12,18-diethyl-8-(2-methoxy-2-oxidanylidene-ethyl)-3,8,13,17-tetramethyl-7-oxidanylidene-23,24-dihydroporphyrin-2-yl]ethanoate
MOLECULAR FORMULA: C34H38N4O5
MOLECULAR WEIGHT: 582.68932
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(=O)C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC(=O)OC)C)(C)CC(=O)OC)CC)C)C
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