2-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 2-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]benzoic acid IUPAC Name: 2-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 2-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]benzoic acid Formula: C18H13NO12S3 MolecularWeight: 531.49032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO12S3/c20-17(10-3-1-2-4-11(10)18(21)22)19-13-5-6-14(33(26,27)28)12-7-9(32(23,24)25)8-15(16(12)13)34(29,30)31/h1-8H,(H,19,20)(H,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)