4-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzoic acid Openeye Name: 4-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]benzoic acid CAS Name: 4-[(6-hydroxy-5-methyl-8-nitro-2-naphthalenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[(6-hydroxy-5-methyl-8-nitronaphthalen-2-yl)sulfonylamino]benzoic acid Traditional Name: 4-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]benzoic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C18H14N2O7S/c1-10-14-7-6-13(8-15(14)16(20(24)25)9-17(10)21)28(26,27)19-12-4-2-11(3-5-12)18(22)23/h2-9,19,21H,1H3,(H,22,23)