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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-14-8-10-17(11-9-14)22(18,19)21-12-4-6-15-5-3-7-16(13-15)20-2/h3,5,7-11,13H,12H2,1-2H3