14-pyridin-3-yltetradec-11-ynyl 4-methylbenzenesulfonate

Systemtic Name: 14-pyridin-3-yltetradec-11-ynyl 4-methylbenzenesulfonate Openeye Name: 14-(3-pyridyl)tetradec-11-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 14-(3-pyridinyl)tetradec-11-ynyl ester IUPAC Name: 14-pyridin-3-yltetradec-11-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 14-(3-pyridyl)tetradec-11-ynyl ester Formula: C26H35NO3S MolecularWeight: 441.626

Click to see the large picture

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)OCCCCCCCCCCC#CCCC2=CN=CC=C2

InChI

InChI=1S/C26H35NO3S/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/h14,16-21,23H,2-7,9,11-13,15,22H2,1H3