disodium 7-[[2-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: disodium 7-[[2-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[2-methyl-4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azonaphthalene-1,3-disulfonate Formula: C24H16N4Na2O9S2 MolecularWeight: 614.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H18N4O9S2.2Na/c1-14-10-17(25-24(29)15-3-7-19(8-4-15)28(30)31)6-9-22(14)27-26-18-5-2-16-11-20(38(32,33)34)13-23(21(16)12-18)39(35,36)37;;/h2-13H,1H3,(H,25,29)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2