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

Systemtic Name: 5-[[4-[4-[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-oxidanyl-3-sulfo-benzoic acid Openeye Name: 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid CAS Name: 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid IUPAC Name: 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid Traditional Name: 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid Formula: C26H20N2O16S4 MolecularWeight: 744.7008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=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=CC(=CC=C1C2=CC=C(C=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/C26H20N2O16S4/c29-23-19(25(31)32)9-15(11-21(23)47(39,40)41)27-45(35,36)17-5-1-13(2-6-17)14-3-7-18(8-4-14)46(37,38)28-16-10-20(26(33)34)24(30)22(12-16)48(42,43)44/h1-12,27-30H,(H,31,32)(H,33,34)(H,39,40,41)(H,42,43,44)