2-[4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)sulfamoyl]phenyl]butanedioic acid

Systemtic Name: 2-[4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)sulfamoyl]phenyl]butanedioic acid Openeye Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthyl)sulfamoyl]phenyl]butanedioic acid CAS Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthalenyl)sulfamoyl]phenyl]butanedioic acid IUPAC Name: 2-[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)sulfamoyl]phenyl]butanedioic acid Traditional Name: 2-[4-[(5-hydroxy-7-sulfo-2-naphthyl)sulfamoyl]phenyl]succinic acid Formula: C20H17NO10S2 MolecularWeight: 495.47968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)C(=O)O)S(=O)(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)C(=O)O)S(=O)(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C20H17NO10S2/c22-18-9-15(33(29,30)31)8-12-7-13(3-6-16(12)18)21-32(27,28)14-4-1-11(2-5-14)17(20(25)26)10-19(23)24/h1-9,17,21-22H,10H2,(H,23,24)(H,25,26)(H,29,30,31)