(6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine

Systemtic Name: (6Z)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine Openeye Name: (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(3-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine CAS Name: (6Z)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyl-1-octanamine IUPAC Name: (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[(3-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid; N-octyloctan-1-amine Traditional Name: (6Z)-4-amino-5-keto-3-(4-nitrophenyl)azo-6-[(3-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid; dioctylamine Formula: C70H121N9O12S3 MolecularWeight: 1376.95784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC(=CC(=C1)S(=O)(=O)O)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC(=CC(=C1)S(=O)(=O)O)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H16N6O12S3.3C16H35N/c23-19-18-11(8-16(42(35,36)37)20(19)26-24-12-4-6-14(7-5-12)28(30)31)9-17(43(38,39)40)21(22(18)29)27-25-13-2-1-3-15(10-13)41(32,33)34;3*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1-10,25H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);3*17H,3-16H2,1-2H3/b26-24?,27-21+;;;