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

Systemtic Name: disodium 7-[[4-[[2-methyl-4-[(4-nitrophenyl)carbonylamino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azophenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-[2-methyl-4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]azophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]azophenyl]azonaphthalene-1,3-disulfonate Formula: C30H20N6Na2O9S2 MolecularWeight: 718.62414

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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=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)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=CC=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H22N6O9S2.2Na/c1-18-14-23(31-30(37)19-3-11-25(12-4-19)36(38)39)10-13-28(18)35-33-22-8-6-21(7-9-22)32-34-24-5-2-20-15-26(46(40,41)42)17-29(27(20)16-24)47(43,44)45;;/h2-17H,1H3,(H,31,37)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2