2-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 2-[(6-sulfo-1-naphthyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]benzoic acid IUPAC Name: 2-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 2-[(6-sulfo-1-naphthyl)carbamoyl]benzoic acid Formula: C18H13NO6S MolecularWeight: 371.36392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO6S/c20-17(14-5-1-2-6-15(14)18(21)22)19-16-7-3-4-11-10-12(26(23,24)25)8-9-13(11)16/h1-10H,(H,19,20)(H,21,22)(H,23,24,25)