Monday, June 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (9E)-9-hydrazinylidene-2H-phenalen-1-one
CAS Name: (9E)-9-hydrazinylidene-2H-phenalen-1-one
IUPAC NAME: (9E)-9-hydrazinylidene-2H-phenalen-1-one
SYSTEMATIC NAME: (9E)-9-diazanylidene-2H-phenalen-1-one
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1C=C2C=CC=C3C2=C(C1=O)/C(=N/N)/C=C3
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Product OPENEYE NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyl-oxonium tetrafluoroborate
CAS Name: [9-(butylthio)-1-phenalenylidene]-ethyloxonium tetrafluoroborate
IUPAC NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyloxidanium tetrafluoroborate
SYSTEMATIC NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyl-oxidanium tetrafluoroborate
MOLECULAR FORMULA: C19H21BF4OS
MOLECULAR WEIGHT: 384.239053
SMILES: [B-](F)(F)(F)F.CCCCSC1=C2C(=[O+]CC)C=CC3=CC=CC(=C32)C=C1
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Product OPENEYE NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyl-oxonium
CAS Name: [9-(butylthio)-1-phenalenylidene]-ethyloxonium
IUPAC NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyloxidanium
SYSTEMATIC NAME: (9-butylsulfanylphenalen-1-ylidene)-ethyl-oxidanium
MOLECULAR FORMULA: C19H21OS+
MOLECULAR WEIGHT: 297.43444
SMILES: CCCCSC1=C2C(=[O+]CC)C=CC3=CC=CC(=C32)C=C1
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Product OPENEYE NAME: (9-butoxy-1H-phenalen-1-yl)-ethyl-oxonium tetratetrafluoroborate
CAS Name: (9-butoxy-1H-phenalen-1-yl)-ethyloxonium tetratetrafluoroborate
IUPAC NAME: (9-butoxy-1H-phenalen-1-yl)-ethyloxidanium tetratetrafluoroborate
SYSTEMATIC NAME: (9-butoxy-1H-phenalen-1-yl)-ethyl-oxidanium tetratetrafluoroborate
MOLECULAR FORMULA: C19H23B4F16O2-3
MOLECULAR WEIGHT: 630.603171
SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCCCOC1=C2C(C=CC3=CC=CC(=C32)C=C1)[OH+]CC
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Product OPENEYE NAME: 9-butoxy-1-ethoxy-1H-phenalene
CAS Name: 9-butoxy-1-ethoxy-1H-phenalene
IUPAC NAME: 9-butoxy-1-ethoxy-1H-phenalene
SYSTEMATIC NAME: 9-butoxy-1-ethoxy-1H-phenalene
MOLECULAR FORMULA: C19H22O2
MOLECULAR WEIGHT: 282.37678
SMILES: CCCCOC1=C2C(C=CC3=CC=CC(=C32)C=C1)OCC
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Product OPENEYE NAME: 9-aminosulfanylphenalen-1-one
CAS Name: 9-(aminothio)-1-phenalenone
IUPAC NAME: 9-aminosulfanylphenalen-1-one
SYSTEMATIC NAME: 9-azanylsulfanylphenalen-1-one
MOLECULAR FORMULA: C13H9NOS
MOLECULAR WEIGHT: 227.28166
SMILES: C1=CC2=C3C(=C1)C=CC(=O)C3=C(C=C2)SN
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Product OPENEYE NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate
CAS Name: 1-(9-butoxy-1-phenalenylidene)pyrrolidin-1-ium tetrafluoroborate
IUPAC NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate
SYSTEMATIC NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate
MOLECULAR FORMULA: C21H24BF4NO
MOLECULAR WEIGHT: 393.225973
SMILES: [B-](F)(F)(F)F.CCCCOC1=C2C(=[N+]3CCCC3)C=CC4=CC=CC(=C42)C=C1
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Product OPENEYE NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium
CAS Name: 1-(9-butoxy-1-phenalenylidene)pyrrolidin-1-ium
IUPAC NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium
SYSTEMATIC NAME: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium
MOLECULAR FORMULA: C21H24NO+
MOLECULAR WEIGHT: 306.42136
SMILES: CCCCOC1=C2C(=[N+]3CCCC3)C=CC4=CC=CC(=C42)C=C1
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Product OPENEYE NAME: 9-butoxysulfanylphenalen-1-one
CAS Name: 9-oxo-1-phenalenesulfenic acid butyl ester
IUPAC NAME: 9-butoxysulfanylphenalen-1-one
SYSTEMATIC NAME: 9-butoxysulfanylphenalen-1-one
MOLECULAR FORMULA: C17H16O2S
MOLECULAR WEIGHT: 284.37274
SMILES: CCCCOSC1=C2C(=O)C=CC3=CC=CC(=C32)C=C1
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Product OPENEYE NAME: 9-hydroxysulfanylphenalen-1-one
CAS Name: 9-oxo-1-phenalenesulfenic acid
IUPAC NAME: 9-hydroxysulfanylphenalen-1-one
SYSTEMATIC NAME: 9-oxidanylsulfanylphenalen-1-one
MOLECULAR FORMULA: C13H8O2S
MOLECULAR WEIGHT: 228.26642
SMILES: C1=CC2=C3C(=C1)C=CC(=O)C3=C(C=C2)SO
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Product OPENEYE NAME: 9-(disulfanyl)phenalen-1-one
CAS Name: 9-(disulfanyl)-1-phenalenone
IUPAC NAME: 9-(disulfanyl)phenalen-1-one
SYSTEMATIC NAME: 9-(disulfanyl)phenalen-1-one
MOLECULAR FORMULA: C13H8OS2
MOLECULAR WEIGHT: 244.33202
SMILES: C1=CC2=C3C(=C1)C=CC(=O)C3=C(C=C2)SS
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Product OPENEYE NAME: 9-(butylaminosulfanyl)phenalen-1-one
CAS Name: N-butyl-9-oxo-1-phenalenesulfenamide
IUPAC NAME: 9-(butylaminosulfanyl)phenalen-1-one
SYSTEMATIC NAME: 9-(butylaminosulfanyl)phenalen-1-one
MOLECULAR FORMULA: C17H17NOS
MOLECULAR WEIGHT: 283.38798
SMILES: CCCCNSC1=C2C(=O)C=CC3=CC=CC(=C32)C=C1
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Product OPENEYE NAME: 1-dodecylpyridin-1-ium hydrochloride
CAS Name: 1-dodecylpyridin-1-ium hydrochloride
IUPAC NAME: 1-dodecylpyridin-1-ium hydrochloride
SYSTEMATIC NAME: 1-dodecylpyridin-1-ium hydrochloride
MOLECULAR FORMULA: C17H31ClN+
MOLECULAR WEIGHT: 284.88774
SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.Cl
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Product OPENEYE NAME: dodecyl(methoxy)ammonium chloride
CAS Name: dodecyl(methoxy)ammonium chloride
IUPAC NAME: dodecyl(methoxy)azanium chloride
SYSTEMATIC NAME: dodecyl(methoxy)azanium chloride
MOLECULAR FORMULA: C13H30ClNO
MOLECULAR WEIGHT: 251.8364
SMILES: CCCCCCCCCCCC[NH2+]OC.[Cl-]
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Product OPENEYE NAME: 2-[4-(carboxylatomethylamino)anilino]acetate
CAS Name: 2-[4-(carboxylatomethylamino)anilino]acetate
IUPAC NAME: 2-[4-(carboxylatomethylamino)anilino]acetate
SYSTEMATIC NAME: 2-[[4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]phenyl]amino]ethanoate
MOLECULAR FORMULA: C10H10N2O4-2
MOLECULAR WEIGHT: 222.1974
SMILES: C1=CC(=CC=C1NCC(=O)[O-])NCC(=O)[O-]
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Product OPENEYE NAME: (2-benzylphenyl)-hydroxy-silicon
CAS Name: hydroxy-[2-(phenylmethyl)phenyl]silicon
IUPAC NAME: (2-benzylphenyl)-hydroxysilicon
SYSTEMATIC NAME: oxidanyl-[2-(phenylmethyl)phenyl]silicon
MOLECULAR FORMULA: C13H12OSi
MOLECULAR WEIGHT: 212.31928
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2[Si]O
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Product OPENEYE NAME: aluminum ethane trichloride
CAS Name: aluminum ethane trichloride
IUPAC NAME: aluminum ethane trichloride
SYSTEMATIC NAME: aluminum ethane trichloride
MOLECULAR FORMULA: C2H6AlCl3
MOLECULAR WEIGHT: 163.409578
SMILES: CC.[Al+3].[Cl-].[Cl-].[Cl-]
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Product OPENEYE NAME: 2-oxaspiro[2.4]hepta-4,6-diene
CAS Name: 2-oxaspiro[2.4]hepta-4,6-diene
IUPAC NAME: 2-oxaspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 2-oxaspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C6H6O
MOLECULAR WEIGHT: 94.11124
SMILES: C1C2(O1)C=CC=C2
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Product OPENEYE NAME: 1-(1-methylpentyl)-2-oxaspiro[2.4]hepta-4,6-diene
CAS Name: 1-hexan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
IUPAC NAME: 1-hexan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 1-hexan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCCCC(C)C1C2(O1)C=CC=C2
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Product OPENEYE NAME: 5-methylene-1-propyl-cyclopenta-1,3-diene
CAS Name: 5-methylene-1-propylcyclopenta-1,3-diene
IUPAC NAME: 5-methylidene-1-propylcyclopenta-1,3-diene
SYSTEMATIC NAME: 5-methylidene-1-propyl-cyclopenta-1,3-diene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: CCCC1=CC=CC1=C
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Product OPENEYE NAME: 1-isopropyl-2-oxaspiro[2.4]hepta-4,6-diene
CAS Name: 1-propan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
IUPAC NAME: 1-propan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 1-propan-2-yl-2-oxaspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C)C1C2(O1)C=CC=C2
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