3-[(3-methyl-4-nitro-phenyl)carbonylamino]-7-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-7-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 7-hydroxy-3-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 7-hydroxy-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-3-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 7-hydroxy-3-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-1-sulfonic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C3C=C(C=CC3=C2)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C3C=C(C=CC3=C2)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

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