3-prop-2-ynoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 3-prop-2-ynoxypropyl 4-methylbenzenesulfonate Openeye Name: 3-prop-2-ynoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-prop-2-ynoxypropyl ester IUPAC Name: 3-prop-2-ynoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-propargyloxypropyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-3-9-16-10-4-11-17-18(14,15)13-7-5-12(2)6-8-13/h1,5-8H,4,9-11H2,2H3