2-phenylhex-5-ynyl 4-methylbenzenesulfonate

Systemtic Name: 2-phenylhex-5-ynyl 4-methylbenzenesulfonate Openeye Name: 2-phenylhex-5-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-phenylhex-5-ynyl ester IUPAC Name: 2-phenylhex-5-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-phenylhex-5-ynyl ester Formula: C19H20O3S MolecularWeight: 329.417955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC#C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC#[13CH])C2=CC=CC=C2

InChI

InChI=1S/C19H20O3S/c1-3-4-8-18(17-9-6-5-7-10-17)15-22-23(20,21)19-13-11-16(2)12-14-19/h1,5-7,9-14,18H,4,8,15H2,2H3/i1+1