4-oxidanyl-3-[[4-[4-[(2-oxidanyl-5-sulfo-phenyl)carbonylamino]phenyl]sulfonylphenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-oxidanyl-3-[[4-[4-[(2-oxidanyl-5-sulfo-phenyl)carbonylamino]phenyl]sulfonylphenyl]carbamoyl]benzenesulfonic acid Openeye Name: 4-hydroxy-3-[[4-[4-[(2-hydroxy-5-sulfo-benzoyl)amino]phenyl]sulfonylphenyl]carbamoyl]benzenesulfonic acid CAS Name: 4-hydroxy-3-[[4-[4-[[(2-hydroxy-5-sulfophenyl)-oxomethyl]amino]phenyl]sulfonylanilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-hydroxy-3-[[4-[4-[(2-hydroxy-5-sulfobenzoyl)amino]phenyl]sulfonylphenyl]carbamoyl]benzenesulfonic acid Traditional Name: 4-hydroxy-3-[[4-[4-[(2-hydroxy-5-sulfo-benzoyl)amino]phenyl]sulfonylphenyl]carbamoyl]besylic acid Formula: C26H20N2O12S3 MolecularWeight: 648.6382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)O)O

InChI

InChI=1S/C26H20N2O12S3/c29-23-11-9-19(42(35,36)37)13-21(23)25(31)27-15-1-5-17(6-2-15)41(33,34)18-7-3-16(4-8-18)28-26(32)22-14-20(43(38,39)40)10-12-24(22)30/h1-14,29-30H,(H,27,31)(H,28,32)(H,35,36,37)(H,38,39,40)