[(Z)-14-pyridin-3-yltetradec-11-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-14-pyridin-3-yltetradec-11-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-14-(3-pyridyl)tetradec-11-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-14-(3-pyridinyl)tetradec-11-enyl] ester IUPAC Name: [(Z)-14-pyridin-3-yltetradec-11-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-14-(3-pyridyl)tetradec-11-enyl] ester Formula: C26H37NO3S MolecularWeight: 443.64188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3S/c1-24-17-19-26(20-18-24)31(28,29)30-22-13-11-9-7-5-3-2-4-6-8-10-12-15-25-16-14-21-27-23-25/h8,10,14,16-21,23H,2-7,9,11-13,15,22H2,1H3/b10-8-