disodium (3Z)-6-azanyl-3-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-6-azanyl-3-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-6-amino-3-[[2-methoxy-5-methyl-4-(4-nitrophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-6-amino-3-[[2-methoxy-5-methyl-4-(4-nitrophenyl)azophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-6-amino-3-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-6-amino-4-keto-3-[[2-methoxy-5-methyl-4-(4-nitrophenyl)azo-phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C24H18N6Na2O10S2 MolecularWeight: 660.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)NN=C3C(=CC4=CC(=C(C=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)N/N=C/3\C(=CC4=CC(=C(C=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H20N6O10S2.2Na/c1-12-7-19(20(40-2)11-18(12)27-26-14-3-5-15(6-4-14)30(32)33)28-29-23-22(42(37,38)39)9-13-8-21(41(34,35)36)17(25)10-16(13)24(23)31;;/h3-11,28H,25H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b27-26?,29-23+;;