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4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)azanium

4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)azanium

Systemtic Name:4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)azanium
Openeye Name:4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)ammonium
CAS Name:4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)ammonium
IUPAC Name:4-methylbenzenesulfonic acid; trimethyl(1-phenyldodecyl)azanium
Traditional Name:tosylic acid; trimethyl(1-phenyldodecyl)ammonium
Formula: C28H46NO3S+
MolecularWeight: 476.73474
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C21H38N.C7H8O3S/c1-5-6-7-8-9-10-11-12-16-19-21(22(2,3)4)20-17-14-13-15-18-20;1-6-2-4-7(5-3-6)11(8,9)10/h13-15,17-18,21H,5-12,16,19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;


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