[(E)-undec-4-en-6-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-undec-4-en-6-ynyl] 4-methylbenzenesulfonate Openeye Name: [(E)-undec-4-en-6-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-undec-4-en-6-ynyl] ester IUPAC Name: [(E)-undec-4-en-6-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-undec-4-en-6-ynyl] ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC#C/C=C/CCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H24O3S/c1-3-4-5-6-7-8-9-10-11-16-21-22(19,20)18-14-12-17(2)13-15-18/h8-9,12-15H,3-5,10-11,16H2,1-2H3/b9-8+