4-methylhex-5-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-methylhex-5-ynyl 4-methylbenzenesulfonate Openeye Name: 4-methylhex-5-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-methylhex-5-ynyl ester IUPAC Name: 4-methylhex-5-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-methylhex-5-ynyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)C#C

InChI

InChI=1S/C14H18O3S/c1-4-12(2)6-5-11-17-18(15,16)14-9-7-13(3)8-10-14/h1,7-10,12H,5-6,11H2,2-3H3