2-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]benzoic acid CAS Name: 2-[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]benzoic acid Formula: C18H13NO7S MolecularWeight: 387.36332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO7S/c20-16-9-12(27(24,25)26)8-10-7-11(5-6-13(10)16)19-17(21)14-3-1-2-4-15(14)18(22)23/h1-9,20H,(H,19,21)(H,22,23)(H,24,25,26)