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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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