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

Systemtic Name: disodium 7-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: disodium 7-[4-(4-amino-2-methyl-phenyl)azophenyl]azonaphthalene-1,3-disulfonate CAS Name: disodium 7-[4-(4-amino-2-methylphenyl)azophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: disodium 7-[[4-[(4-amino-2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: disodium 7-[4-(4-amino-2-methyl-phenyl)azophenyl]azonaphthalene-1,3-disulfonate Formula: C23H17N5Na2O6S2 MolecularWeight: 569.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)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)N)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H19N5O6S2.2Na/c1-14-10-16(24)3-9-22(14)28-26-18-7-5-17(6-8-18)25-27-19-4-2-15-11-20(35(29,30)31)13-23(21(15)12-19)36(32,33)34;;/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2