8-[(4-methyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-methyl-3-nitro-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C18H14N2O12S3 MolecularWeight: 546.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O12S3/c1-9-2-3-10(6-15(9)20(22)23)18(21)19-14-7-12(33(24,25)26)4-11-5-13(34(27,28)29)8-16(17(11)14)35(30,31)32/h2-8H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32)