2-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 2-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoic acid CAS Name: 2-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 2-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoic acid Formula: C18H13NO10S2 MolecularWeight: 467.42652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO10S2/c20-15-8-11(31(27,28)29)6-9-5-10(30(24,25)26)7-14(16(9)15)19-17(21)12-3-1-2-4-13(12)18(22)23/h1-8,20H,(H,19,21)(H,22,23)(H,24,25,26)(H,27,28,29)