[5-(4-methylphenyl)sulfonyloxy-2,4-bis[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-2,4-bis[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2,4-bis[(E)-3-phenylprop-2-enoyl]-5-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-methylphenyl)sulfonyloxy-2,4-bis[(E)-1-oxo-3-phenylprop-2-enyl]phenyl] ester IUPAC Name: [5-(4-methylphenyl)sulfonyloxy-2,4-bis[(E)-3-phenylprop-2-enoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,4-bis[(E)-3-phenylacryloyl]-5-tosyloxy-phenyl] ester Formula: C38H30O8S2 MolecularWeight: 678.77

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C(=O)C=CC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C(=O)/C=C/C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C38H30O8S2/c1-27-13-19-31(20-14-27)47(41,42)45-37-26-38(46-48(43,44)32-21-15-28(2)16-22-32)34(36(40)24-18-30-11-7-4-8-12-30)25-33(37)35(39)23-17-29-9-5-3-6-10-29/h3-26H,1-2H3/b23-17+,24-18+