4-[2-(5-acetamido-2-sulfo-phenyl)-3,5-dimethyl-6-sulfo-cyclohexa-1,5-dien-1-yl]-3,5-dimethyl-benzenesulfonic acid

Systemtic Name: 4-[2-(5-acetamido-2-sulfo-phenyl)-3,5-dimethyl-6-sulfo-cyclohexa-1,5-dien-1-yl]-3,5-dimethyl-benzenesulfonic acid Openeye Name: 4-[2-(5-acetamido-2-sulfo-phenyl)-3,5-dimethyl-6-sulfo-cyclohexa-1,5-dien-1-yl]-3,5-dimethyl-benzenesulfonic acid CAS Name: 4-[2-(5-acetamido-2-sulfophenyl)-3,5-dimethyl-6-sulfo-1-cyclohexa-1,5-dienyl]-3,5-dimethylbenzenesulfonic acid IUPAC Name: 4-[2-(5-acetamido-2-sulfophenyl)-3,5-dimethyl-6-sulfocyclohexa-1,5-dien-1-yl]-3,5-dimethylbenzenesulfonic acid Traditional Name: 4-[2-(5-acetamido-2-sulfo-phenyl)-3,5-dimethyl-6-sulfo-cyclohexa-1,5-dien-1-yl]-3,5-dimethyl-besylic acid Formula: C24H27NO10S3 MolecularWeight: 585.66688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=C1C2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)O)C3=C(C=C(C=C3C)S(=O)(=O)O)C)S(=O)(=O)O)C

Isomeric SMILES

CC1CC(=C(C(=C1C2=C(C=CC(=C2)NC(=O)C)S(=O)(=O)O)C3=C(C=C(C=C3C)S(=O)(=O)O)C)S(=O)(=O)O)C

InChI

InChI=1S/C24H27NO10S3/c1-12-8-15(4)24(38(33,34)35)23(21-13(2)9-18(10-14(21)3)36(27,28)29)22(12)19-11-17(25-16(5)26)6-7-20(19)37(30,31)32/h6-7,9-12H,8H2,1-5H3,(H,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)