5-[[5-[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)sulfamoyl]naphthalen-1-yl]sulfonylamino]-2-oxidanyl-3-sulfo-benzoic acid

Systemtic Name: 5-[[5-[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)sulfamoyl]naphthalen-1-yl]sulfonylamino]-2-oxidanyl-3-sulfo-benzoic acid Openeye Name: 5-[[5-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]-1-naphthyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid CAS Name: 5-[[5-[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]-1-naphthalenyl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid IUPAC Name: 5-[[5-[(3-carboxy-4-hydroxy-5-sulfophenyl)sulfamoyl]naphthalen-1-yl]sulfonylamino]-2-hydroxy-3-sulfobenzoic acid Traditional Name: 5-[[5-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]-1-naphthyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid Formula: C24H18N2O16S4 MolecularWeight: 718.66352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)NC4=CC(=C(C(=C4)C(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)NC3=CC(=C(C(=C3)C(=O)O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)NC4=CC(=C(C(=C4)C(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C24H18N2O16S4/c27-21-15(23(29)30)7-11(9-19(21)45(37,38)39)25-43(33,34)17-5-1-3-13-14(17)4-2-6-18(13)44(35,36)26-12-8-16(24(31)32)22(28)20(10-12)46(40,41)42/h1-10,25-28H,(H,29,30)(H,31,32)(H,37,38,39)(H,40,41,42)