4-chloranyl-3-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine

Systemtic Name: 4-chloranyl-3-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine Openeye Name: 4-chloro-3-(3-methyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine CAS Name: 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)-1-hexanamine IUPAC Name: 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; 2-ethyl-N-(2-ethylhexyl)hexan-1-amine Traditional Name: bis(2-ethylhexyl)amine; 4-chloro-3-(5-keto-3-methyl-4-phenylazo-2-pyrazolin-1-yl)besylic acid Formula: C32H48ClN5O4S MolecularWeight: 634.27262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC(CC)CCCC.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCC(CC)CNCC(CC)CCCC.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H13ClN4O4S.C16H35N/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h2-9,15H,1H3,(H,23,24,25);15-17H,5-14H2,1-4H3