[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-hydroxyphenyl)acryloyl]phenyl] ester Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)O

InChI

InChI=1S/C22H18O5S/c1-16-2-13-21(14-3-16)28(25,26)27-20-11-7-18(8-12-20)22(24)15-6-17-4-9-19(23)10-5-17/h2-15,23H,1H3/b15-6+