[(Z)-11-pyridin-3-ylundec-9-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-11-pyridin-3-ylundec-9-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-11-(3-pyridyl)undec-9-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-11-(3-pyridinyl)undec-9-enyl] ester IUPAC Name: [(Z)-11-pyridin-3-ylundec-9-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-11-(3-pyridyl)undec-9-enyl] ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC=CCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC/C=C\CC2=CN=CC=C2

InChI

InChI=1S/C23H31NO3S/c1-21-14-16-23(17-15-21)28(25,26)27-19-10-8-6-4-2-3-5-7-9-12-22-13-11-18-24-20-22/h7,9,11,13-18,20H,2-6,8,10,12,19H2,1H3/b9-7-