dodecyl(trimethyl)azanium; 4-pentan-2-ylbenzenesulfonic acid

Systemtic Name: dodecyl(trimethyl)azanium; 4-pentan-2-ylbenzenesulfonic acid Openeye Name: dodecyl(trimethyl)ammonium; 4-(1-methylbutyl)benzenesulfonic acid CAS Name: dodecyl(trimethyl)ammonium; 4-pentan-2-ylbenzenesulfonic acid IUPAC Name: dodecyl(trimethyl)azanium; 4-pentan-2-ylbenzenesulfonic acid Traditional Name: lauryl(trimethyl)ammonium; 4-(1-methylbutyl)besylic acid Formula: C26H50NO3S+ MolecularWeight: 456.7451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N.C11H16O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-3-4-9(2)10-5-7-11(8-6-10)15(12,13)14/h5-15H2,1-4H3;5-9H,3-4H2,1-2H3,(H,12,13,14)/q+1;