3-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-2-carboxylic acid CAS Name: 3-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[(4-amino-2-sulfobenzoyl)amino]naphthalene-2-carboxylic acid Traditional Name: 3-[(4-amino-2-sulfo-benzoyl)amino]-2-naphthoic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C18H14N2O6S/c19-12-5-6-13(16(9-12)27(24,25)26)17(21)20-15-8-11-4-2-1-3-10(11)7-14(15)18(22)23/h1-9H,19H2,(H,20,21)(H,22,23)(H,24,25,26)