4-[(3-methyl-4-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3-methyl-4-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-2,7-disulfonic acid Formula: C18H14N2O10S2 MolecularWeight: 482.44116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-]

InChI

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