5-[(4-methyl-2-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1,2-disulfonic acid

Systemtic Name: 5-[(4-methyl-2-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1,2-disulfonic acid Openeye Name: 4-hydroxy-5-[(4-methyl-2-nitro-benzoyl)amino]naphthalene-1,2-disulfonic acid CAS Name: 4-hydroxy-5-[[(4-methyl-2-nitrophenyl)-oxomethyl]amino]naphthalene-1,2-disulfonic acid IUPAC Name: 4-hydroxy-5-[(4-methyl-2-nitrobenzoyl)amino]naphthalene-1,2-disulfonic acid Traditional Name: 4-hydroxy-5-[(4-methyl-2-nitro-benzoyl)amino]naphthalene-1,2-disulfonic acid Formula: C18H14N2O10S2 MolecularWeight: 482.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2C(=CC(=C3S(=O)(=O)O)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=CC3=C2C(=CC(=C3S(=O)(=O)O)S(=O)(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O10S2/c1-9-5-6-10(13(7-9)20(23)24)18(22)19-12-4-2-3-11-16(12)14(21)8-15(31(25,26)27)17(11)32(28,29)30/h2-8,21H,1H3,(H,19,22)(H,25,26,27)(H,28,29,30)