5-[[3,5-bis[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)sulfamoyl]phenyl]sulfonylamino]-2-oxidanyl-3-sulfo-benzoic acid

Systemtic Name: 5-[[3,5-bis[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)sulfamoyl]phenyl]sulfonylamino]-2-oxidanyl-3-sulfo-benzoic acid Openeye Name: 5-[[3,5-bis[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid CAS Name: 5-[[3,5-bis[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid IUPAC Name: 5-[[3,5-bis[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid Traditional Name: 5-[[3,5-bis[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid Formula: C27H21N3O24S6 MolecularWeight: 963.85134

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)NS(=O)(=O)C2=CC(=CC(=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)O)O)S(=O)(=O)O)S(=O)(=O)NC4=CC(=C(C(=C4)C(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)NS(=O)(=O)C2=CC(=CC(=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)O)O)S(=O)(=O)O)S(=O)(=O)NC4=CC(=C(C(=C4)C(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C27H21N3O24S6/c31-22-16(25(34)35)1-10(4-19(22)58(46,47)48)28-55(40,41)13-7-14(56(42,43)29-11-2-17(26(36)37)23(32)20(5-11)59(49,50)51)9-15(8-13)57(44,45)30-12-3-18(27(38)39)24(33)21(6-12)60(52,53)54/h1-9,28-33H,(H,34,35)(H,36,37)(H,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)