sodium; dodecyl benzenesulfonate; hexadecyl(2-phenylpropan-2-yl)azanium; chloride

Systemtic Name: sodium; dodecyl benzenesulfonate; hexadecyl(2-phenylpropan-2-yl)azanium; chloride Openeye Name: sodium; dodecyl benzenesulfonate; hexadecyl-(1-methyl-1-phenyl-ethyl)ammonium; chloride CAS Name: sodium; benzenesulfonic acid dodecyl ester; hexadecyl(2-phenylpropan-2-yl)ammonium; chloride IUPAC Name: sodium; dodecyl benzenesulfonate; hexadecyl(2-phenylpropan-2-yl)azanium; chloride Traditional Name: sodium; benzenesulfonic acid lauryl ester; cetyl(cumyl)ammonium; chloride Formula: C43H76ClNNaO3S+ MolecularWeight: 745.57621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.[Na+].[Cl-]

InChI

InChI=1S/C25H45N.C18H30O3S.ClH.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(2,3)24-21-18-17-19-22-24;1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;/h17-19,21-22,26H,4-16,20,23H2,1-3H3;11-13,15-16H,2-10,14,17H2,1H3;1H;/q;;;+1