5-(2-butylphenyl)nonan-5-ylazanium; 2-dodecylbenzenesulfonate

Systemtic Name: 5-(2-butylphenyl)nonan-5-ylazanium; 2-dodecylbenzenesulfonate Openeye Name: [1-butyl-1-(2-butylphenyl)pentyl]ammonium; 2-dodecylbenzenesulfonate CAS Name: 5-(2-butylphenyl)nonan-5-ylammonium; 2-dodecylbenzenesulfonate IUPAC Name: 5-(2-butylphenyl)nonan-5-ylazanium; 2-dodecylbenzenesulfonate Traditional Name: [1-butyl-1-(2-butylphenyl)pentyl]ammonium; 2-laurylbesylate Formula: C37H63NO3S MolecularWeight: 601.96602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC1=CC=CC=C1C(CCCC)(CCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC1=CC=CC=C1C(CCCC)(CCCC)[NH3+]

InChI

InChI=1S/C19H33N.C18H30O3S/c1-4-7-12-17-13-10-11-14-18(17)19(20,15-8-5-2)16-9-6-3;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h10-11,13-14H,4-9,12,15-16,20H2,1-3H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)