[1-(4-methylphenyl)-4,4-bis(phenylsulfanyl)but-3-enyl] ethanoate

Systemtic Name: [1-(4-methylphenyl)-4,4-bis(phenylsulfanyl)but-3-enyl] ethanoate Openeye Name: [4,4-bis(phenylsulfanyl)-1-(p-tolyl)but-3-enyl] acetate CAS Name: acetic acid [1-(4-methylphenyl)-4,4-bis(phenylthio)but-3-enyl] ester IUPAC Name: [1-(4-methylphenyl)-4,4-bis(phenylsulfanyl)but-3-enyl] acetate Traditional Name: acetic acid [4,4-bis(phenylthio)-1-(p-tolyl)but-3-enyl] ester Formula: C25H24O2S2 MolecularWeight: 420.58686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC=C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC=C(SC2=CC=CC=C2)SC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C25H24O2S2/c1-19-13-15-21(16-14-19)24(27-20(2)26)17-18-25(28-22-9-5-3-6-10-22)29-23-11-7-4-8-12-23/h3-16,18,24H,17H2,1-2H3