4-azanyl-3-[(4-methylphenyl)diazenyl]-6-[(4-nitrophenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonic acid; sodium

Systemtic Name: 4-azanyl-3-[(4-methylphenyl)diazenyl]-6-[(4-nitrophenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonic acid; sodium Openeye Name: 5-amino-3-[(4-nitrophenyl)hydrazono]-4-oxo-6-(p-tolylazo)naphthalene-2,7-disulfonic acid; sodium CAS Name: 4-amino-3-(4-methylphenyl)azo-6-[(4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid; sodium IUPAC Name: 4-amino-3-[(4-methylphenyl)diazenyl]-6-[(4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid; sodium Traditional Name: 5-amino-4-keto-3-[(4-nitrophenyl)hydrazono]-6-(p-tolylazo)naphthalene-2,7-disulfonic acid; sodium Formula: C23H18N6NaO9S2 MolecularWeight: 609.54359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C3=C2N)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C23H18N6O9S2.Na/c1-12-2-4-14(5-3-12)25-27-21-17(39(33,34)35)10-13-11-18(40(36,37)38)22(23(30)19(13)20(21)24)28-26-15-6-8-16(9-7-15)29(31)32;/h2-11,26H,24H2,1H3,(H,33,34,35)(H,36,37,38);