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

Systemtic Name: disodium (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(2-phenoxyphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: disodium (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(2-phenoxyphenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: disodium (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(2-phenoxyphenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: disodium (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[(2-phenoxyphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: disodium (6Z)-4-amino-5-keto-3-(4-nitrophenyl)azo-6-[(2-phenoxyphenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C28H18N6Na2O10S2 MolecularWeight: 708.58626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H20N6O10S2.2Na/c29-25-24-16(14-22(45(38,39)40)26(25)32-30-17-10-12-18(13-11-17)34(36)37)15-23(46(41,42)43)27(28(24)35)33-31-20-8-4-5-9-21(20)44-19-6-2-1-3-7-19;;/h1-15,31H,29H2,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b32-30?,33-27+;;