[(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] 4-methylbenzenesulfonate Openeye Name: [(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] ester IUPAC Name: [(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-7-(1,3-dioxan-2-yl)hept-4-en-2-ynyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC=CCCC2OCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#C/C=C/CCC2OCCCO2

InChI

InChI=1S/C18H22O5S/c1-16-9-11-17(12-10-16)24(19,20)23-15-6-4-2-3-5-8-18-21-13-7-14-22-18/h2-3,9-12,18H,5,7-8,13-15H2,1H3/b3-2+