2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (8Z)-7-oxidanylidene-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid

Systemtic Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (8Z)-7-oxidanylidene-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid Openeye Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (8Z)-7-oxo-8-[(4-phenylazophenyl)hydrazono]naphthalene-1,3-disulfonic acid CAS Name: 2-ethyl-N-(2-ethylhexyl)-1-hexanamine; (8Z)-7-oxo-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid IUPAC Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (8Z)-7-oxo-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid Traditional Name: bis(2-ethylhexyl)amine; (8Z)-7-keto-8-[(4-phenylazophenyl)hydrazono]naphthalene-1,3-disulfonic acid Formula: C54H86N6O7S2 MolecularWeight: 995.42664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC(CC)CCCC.CCCCC(CC)CNCC(CC)CCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CNCC(CC)CCCC.CCCCC(CC)CNCC(CC)CCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N/N=C/3\C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O

InChI

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