[(Z)-16-pyridin-3-ylhexadec-9-en-11-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-16-pyridin-3-ylhexadec-9-en-11-ynyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-16-(3-pyridyl)hexadec-9-en-11-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-16-(3-pyridinyl)hexadec-9-en-11-ynyl] ester IUPAC Name: [(Z)-16-pyridin-3-ylhexadec-9-en-11-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-16-(3-pyridyl)hexadec-9-en-11-ynyl] ester Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC=CC#CCCCCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC/C=C\C#CCCCCC2=CN=CC=C2

InChI

InChI=1S/C28H37NO3S/c1-26-19-21-28(22-20-26)33(30,31)32-24-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17-27-18-16-23-29-25-27/h2,4,16,18-23,25H,3,5,7,9-15,17,24H2,1H3/b4-2-