hept-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: hept-2-ynyl 4-methylbenzenesulfonate Openeye Name: hept-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid hept-2-ynyl ester IUPAC Name: hept-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid hept-2-ynyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC#CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C14H18O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h8-11H,3-5,12H2,1-2H3