[(Z)-9-pyridin-3-ylnon-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-9-pyridin-3-ylnon-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-9-(3-pyridyl)non-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-9-(3-pyridinyl)non-6-enyl] ester IUPAC Name: [(Z)-9-pyridin-3-ylnon-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-9-(3-pyridyl)non-6-enyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC=CCCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC/C=C\CCC2=CN=CC=C2

InChI

InChI=1S/C21H27NO3S/c1-19-12-14-21(15-13-19)26(23,24)25-17-8-6-4-2-3-5-7-10-20-11-9-16-22-18-20/h3,5,9,11-16,18H,2,4,6-8,10,17H2,1H3/b5-3-