4-[(2-methyl-5-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(2-methyl-5-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-[(2-methyl-5-nitro-benzoyl)amino]naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-[[(2-methyl-5-nitrophenyl)-oxomethyl]amino]naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-[(2-methyl-5-nitrobenzoyl)amino]naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-4-[(2-methyl-5-nitro-benzoyl)amino]naphthalene-1,7-disulfonic acid Formula: C18H14N2O10S2 MolecularWeight: 482.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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