dodecyl 4-methylbenzenesulfonate; pyridin-1-ium

Systemtic Name: dodecyl 4-methylbenzenesulfonate; pyridin-1-ium Openeye Name: dodecyl 4-methylbenzenesulfonate; pyridin-1-ium CAS Name: 4-methylbenzenesulfonic acid dodecyl ester; pyridin-1-ium IUPAC Name: dodecyl 4-methylbenzenesulfonate; pyridin-1-ium Traditional Name: 4-methylbenzenesulfonic acid lauryl ester; pyridin-1-ium Formula: C24H38NO3S+ MolecularWeight: 420.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=[NH+]C=C1

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=[NH+]C=C1

InChI

InChI=1S/C19H32O3S.C5H5N/c1-3-4-5-6-7-8-9-10-11-12-17-22-23(20,21)19-15-13-18(2)14-16-19;1-2-4-6-5-3-1/h13-16H,3-12,17H2,1-2H3;1-5H/p+1