2-[[5,7-bis[(2-carboxy-3-oxidanyl-phenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[[5,7-bis[(2-carboxy-3-oxidanyl-phenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]-6-oxidanyl-benzoic acid Openeye Name: 2-[[5,7-bis[(2-carboxy-3-hydroxy-phenyl)sulfamoyl]-2-naphthyl]sulfonylamino]-6-hydroxy-benzoic acid CAS Name: 2-[[5,7-bis[(2-carboxy-3-hydroxyphenyl)sulfamoyl]-2-naphthalenyl]sulfonylamino]-6-hydroxybenzoic acid IUPAC Name: 2-[[5,7-bis[(2-carboxy-3-hydroxyphenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]-6-hydroxybenzoic acid Traditional Name: 2-[[5,7-bis[(2-carboxy-3-hydroxy-phenyl)sulfamoyl]-2-naphthyl]sulfonylamino]-6-hydroxy-benzoic acid Formula: C31H23N3O15S3 MolecularWeight: 773.72042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)C(=O)O)NS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)NC4=C(C(=CC=C4)O)C(=O)O)S(=O)(=O)NC5=C(C(=CC=C5)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)O)C(=O)O)NS(=O)(=O)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)NC4=C(C(=CC=C4)O)C(=O)O)S(=O)(=O)NC5=C(C(=CC=C5)O)C(=O)O

InChI

InChI=1S/C31H23N3O15S3/c35-22-7-1-4-19(26(22)29(38)39)32-50(44,45)16-10-11-18-15(12-16)13-17(51(46,47)33-20-5-2-8-23(36)27(20)30(40)41)14-25(18)52(48,49)34-21-6-3-9-24(37)28(21)31(42)43/h1-14,32-37H,(H,38,39)(H,40,41)(H,42,43)