3-(4-methoxyphenyl)prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-methoxyphenyl)prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-(4-methoxyphenyl)prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-methoxyphenyl)prop-2-ynyl ester IUPAC Name: 3-(4-methoxyphenyl)prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-methoxyphenyl)prop-2-ynyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H16O4S/c1-14-5-11-17(12-6-14)22(18,19)21-13-3-4-15-7-9-16(20-2)10-8-15/h5-12H,13H2,1-2H3