pent-4-ynyl 4-methylbenzenesulfonate

Systemtic Name: pent-4-ynyl 4-methylbenzenesulfonate Openeye Name: pent-4-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid pent-4-ynyl ester IUPAC Name: pent-4-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid pent-4-ynyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h1,6-9H,4-5,10H2,2H3