[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [4-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [4-[(E)-3-p-cumenylacryloyl]phenyl] ester Formula: C27H28O4S MolecularWeight: 448.57382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O4S/c1-18(2)23-9-6-22(7-10-23)8-15-26(28)24-11-13-25(14-12-24)31-32(29,30)27-20(4)16-19(3)17-21(27)5/h6-18H,1-5H3/b15-8+