[(3E)-3-phenyl-4-(2-prop-2-ynoxyphenyl)buta-1,3-dien-2-yl] methanesulfonate

Systemtic Name: [(3E)-3-phenyl-4-(2-prop-2-ynoxyphenyl)buta-1,3-dien-2-yl] methanesulfonate Openeye Name: [(E)-1-methylene-2-phenyl-3-(2-prop-2-ynoxyphenyl)allyl] methanesulfonate CAS Name: methanesulfonic acid [(3E)-3-phenyl-4-(2-prop-2-ynoxyphenyl)buta-1,3-dien-2-yl] ester IUPAC Name: [(3E)-3-phenyl-4-(2-prop-2-ynoxyphenyl)buta-1,3-dien-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-1-methylene-2-phenyl-3-(2-propargyloxyphenyl)allyl] ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(=C)C(=CC1=CC=CC=C1OCC#C)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC(=C)/C(=C/C1=CC=CC=C1OCC#C)/C2=CC=CC=C2

InChI

InChI=1S/C20H18O4S/c1-4-14-23-20-13-9-8-12-18(20)15-19(16(2)24-25(3,21)22)17-10-6-5-7-11-17/h1,5-13,15H,2,14H2,3H3/b19-15-