9-(oxan-2-yloxy)non-7-ynyl 4-methylbenzenesulfonate

Systemtic Name: 9-(oxan-2-yloxy)non-7-ynyl 4-methylbenzenesulfonate Openeye Name: 9-tetrahydropyran-2-yloxynon-7-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 9-(2-oxanyloxy)non-7-ynyl ester IUPAC Name: 9-(oxan-2-yloxy)non-7-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 9-tetrahydropyran-2-yloxynon-7-ynyl ester Formula: C21H30O5S MolecularWeight: 394.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC#CCOC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC#CCOC2CCCCO2

InChI

InChI=1S/C21H30O5S/c1-19-12-14-20(15-13-19)27(22,23)26-18-9-6-4-2-3-5-8-16-24-21-11-7-10-17-25-21/h12-15,21H,2-4,6-7,9-11,16-18H2,1H3