2-oxidanyl-2-[(5-oxidanyl-7-sulfo-naphthalen-1-yl)amino]butanedioic acid

Systemtic Name: 2-oxidanyl-2-[(5-oxidanyl-7-sulfo-naphthalen-1-yl)amino]butanedioic acid Openeye Name: 2-hydroxy-2-[(5-hydroxy-7-sulfo-1-naphthyl)amino]butanedioic acid CAS Name: 2-hydroxy-2-[(5-hydroxy-7-sulfo-1-naphthalenyl)amino]butanedioic acid IUPAC Name: 2-hydroxy-2-[(5-hydroxy-7-sulfonaphthalen-1-yl)amino]butanedioic acid Traditional Name: 2-hydroxy-2-[(5-hydroxy-7-sulfo-1-naphthyl)amino]succinic acid Formula: C14H13NO9S MolecularWeight: 371.31932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)NC(CC(=O)O)(C(=O)O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)NC(CC(=O)O)(C(=O)O)O)S(=O)(=O)O)O

InChI

InChI=1S/C14H13NO9S/c16-11-5-7(25(22,23)24)4-9-8(11)2-1-3-10(9)15-14(21,13(19)20)6-12(17)18/h1-5,15-16,21H,6H2,(H,17,18)(H,19,20)(H,22,23,24)