8-[bis(prop-2-enyl)amino]octyl 4-methylbenzenesulfonate

Systemtic Name: 8-[bis(prop-2-enyl)amino]octyl 4-methylbenzenesulfonate Openeye Name: 8-(diallylamino)octyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-[bis(prop-2-enyl)amino]octyl ester IUPAC Name: 8-[bis(prop-2-enyl)amino]octyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-(diallylamino)octyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN(CC=C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCN(CC=C)CC=C

InChI

InChI=1S/C21H33NO3S/c1-4-16-22(17-5-2)18-10-8-6-7-9-11-19-25-26(23,24)21-14-12-20(3)13-15-21/h4-5,12-15H,1-2,6-11,16-19H2,3H3