Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[9-[p-tolylsulfonyl(3-sulfopropyl)carbamoyl]acridin-10-ium-1-yl]propane-1-sulfonic acid
CAS Name: 3-[9-[[(4-methylphenyl)sulfonyl-(3-sulfopropyl)amino]-oxomethyl]-1-acridin-10-iumyl]-1-propanesulfonic acid
IUPAC NAME: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-1-yl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-1-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C27H29N2O9S3+
MOLECULAR WEIGHT: 621.72216
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)C(=O)C2=C3C(=[NH+]C4=CC=CC=C42)C=CC=C3CCCS(=O)(=O)O
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Product OPENEYE NAME: 3-[9-[p-tolylsulfonyl(3-sulfopropyl)carbamoyl]acridin-1-yl]propane-1-sulfonic acid
CAS Name: 3-[9-[[(4-methylphenyl)sulfonyl-(3-sulfopropyl)amino]-oxomethyl]-1-acridinyl]-1-propanesulfonic acid
IUPAC NAME: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-1-yl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[9-[(4-methylphenyl)sulfonyl-(3-sulfopropyl)carbamoyl]acridin-1-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C27H28N2O9S3
MOLECULAR WEIGHT: 620.71422
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCS(=O)(=O)O)C(=O)C2=C3C(=NC4=CC=CC=C42)C=CC=C3CCCS(=O)(=O)O
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Product OPENEYE NAME: cyclopentanone; 1-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)acridine-9-carboxamide
CAS Name: cyclopentanone; 1-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-9-acridinecarboxamide
IUPAC NAME: cyclopentanone; 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)acridine-9-carboxamide
SYSTEMATIC NAME: cyclopentanone; 1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridine-9-carboxamide
MOLECULAR FORMULA: C23H22N3O5+
MOLECULAR WEIGHT: 420.43788
SMILES: C1CCC(=O)C1.C1CC(=O)[N+](C1=O)(C2=CC=CC3=NC4=CC=CC=C4C(=C32)C(=O)N)O
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Product OPENEYE NAME: 1-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)acridine-9-carboxamide
CAS Name: 1-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-9-acridinecarboxamide
IUPAC NAME: 1-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)acridine-9-carboxamide
SYSTEMATIC NAME: 1-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridine-9-carboxamide
MOLECULAR FORMULA: C18H14N3O4+
MOLECULAR WEIGHT: 336.32146
SMILES: C1CC(=O)[N+](C1=O)(C2=CC=CC3=NC4=CC=CC=C4C(=C32)C(=O)N)O
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Product OPENEYE NAME: 3-(3-hexanoyl-1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate
CAS Name: 3-[1-hydroxy-2,5-dioxo-3-(1-oxohexyl)-1-pyrrolidin-1-iumyl]-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate
IUPAC NAME: 3-(3-hexanoyl-1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate
SYSTEMATIC NAME: 3-[3-hexanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C25H25F3N3O8S+
MOLECULAR WEIGHT: 584.54151
SMILES: CCCCCC(=O)C1CC(=O)[N+](C1=O)(C2=CC3=[NH+]C4=CC=CC=C4C(=C3C=C2)C(=O)N)O.C(F)(F)(F)S(=O)(=O)[O-]
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Product OPENEYE NAME: 3-(3-hexanoyl-1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)acridine-9-carboxamide
CAS Name: 3-[1-hydroxy-2,5-dioxo-3-(1-oxohexyl)-1-pyrrolidin-1-iumyl]-9-acridinecarboxamide
IUPAC NAME: 3-(3-hexanoyl-1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)acridine-9-carboxamide
SYSTEMATIC NAME: 3-[3-hexanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridine-9-carboxamide
MOLECULAR FORMULA: C24H24N3O5+
MOLECULAR WEIGHT: 434.46446
SMILES: CCCCCC(=O)C1CC(=O)[N+](C1=O)(C2=CC3=NC4=CC=CC=C4C(=C3C=C2)C(=O)N)O
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate
CAS Name: 1-(4-bromophenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate
IUPAC NAME: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonylacridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C21H14BrF3N2O6S2
MOLECULAR WEIGHT: 591.37487
SMILES: C1=CC=C2C(=C1)C(=C3C(=[NH+]2)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N.C(F)(F)(F)S(=O)(=O)[O-]
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonylacridine-9-carboxamide
CAS Name: 1-(4-bromophenyl)sulfonyl-9-acridinecarboxamide
IUPAC NAME: 1-(4-bromophenyl)sulfonylacridine-9-carboxamide
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonylacridine-9-carboxamide
MOLECULAR FORMULA: C20H13BrN2O3S
MOLECULAR WEIGHT: 441.29782
SMILES: C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N
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Product OPENEYE NAME: 3-(acridin-10-ium-9-carbonylamino)propanoic acid
CAS Name: 3-[[9-acridin-10-iumyl(oxo)methyl]amino]propanoic acid
IUPAC NAME: 3-(acridin-10-ium-9-carbonylamino)propanoic acid
SYSTEMATIC NAME: 3-(acridin-10-ium-9-ylcarbonylamino)propanoic acid
MOLECULAR FORMULA: C17H15N2O3+
MOLECULAR WEIGHT: 295.3126
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)C(=O)NCCC(=O)O
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Product OPENEYE NAME: 3-(acridine-9-carbonylamino)propanoic acid
CAS Name: 3-[[9-acridinyl(oxo)methyl]amino]propanoic acid
IUPAC NAME: 3-(acridine-9-carbonylamino)propanoic acid
SYSTEMATIC NAME: 3-(acridin-9-ylcarbonylamino)propanoic acid
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCC(=O)O
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Product OPENEYE NAME: 6,6-dichloro-4-methyl-cyclohexa-2,4-diene-1,1-diol
CAS Name: 6,6-dichloro-4-methylcyclohexa-2,4-diene-1,1-diol
IUPAC NAME: 6,6-dichloro-4-methylcyclohexa-2,4-diene-1,1-diol
SYSTEMATIC NAME: 6,6-bis(chloranyl)-4-methyl-cyclohexa-2,4-diene-1,1-diol
MOLECULAR FORMULA: C7H8Cl2O2
MOLECULAR WEIGHT: 195.04322
SMILES: CC1=CC(C(C=C1)(O)O)(Cl)Cl
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