N-octyloctan-1-amine; (4Z)-3-oxidanylidene-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: N-octyloctan-1-amine; (4Z)-3-oxidanylidene-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: N-octyloctan-1-amine; (4Z)-3-oxo-4-[(4-phenylazophenyl)hydrazono]naphthalene-2,7-disulfonic acid CAS Name: N-octyl-1-octanamine; (4Z)-3-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: N-octyloctan-1-amine; (4Z)-3-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: dioctylamine; (4Z)-3-keto-4-[(4-phenylazophenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C54H86N6O7S2 MolecularWeight: 995.42664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N/N=C\3/C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O

InChI

InChI=1S/C22H16N4O7S2.2C16H35N/c27-22-20(35(31,32)33)13-14-12-18(34(28,29)30)10-11-19(14)21(22)26-25-17-8-6-16(7-9-17)24-23-15-4-2-1-3-5-15;2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1-13,25H,(H,28,29,30)(H,31,32,33);2*17H,3-16H2,1-2H3/b24-23?,26-21-;;