[2-methyl-1,1-bis(phenylsulfanyl)hept-1-en-4-yl] ethanoate

Systemtic Name: [2-methyl-1,1-bis(phenylsulfanyl)hept-1-en-4-yl] ethanoate Openeye Name: [3-methyl-4,4-bis(phenylsulfanyl)-1-propyl-but-3-enyl] acetate CAS Name: acetic acid [2-methyl-1,1-bis(phenylthio)hept-1-en-4-yl] ester IUPAC Name: [2-methyl-1,1-bis(phenylsulfanyl)hept-1-en-4-yl] acetate Traditional Name: acetic acid [3-methyl-4,4-bis(phenylthio)-1-propyl-but-3-enyl] ester Formula: C22H26O2S2 MolecularWeight: 386.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=C(SC1=CC=CC=C1)SC2=CC=CC=C2)C)OC(=O)C

Isomeric SMILES

CCCC(CC(=C(SC1=CC=CC=C1)SC2=CC=CC=C2)C)OC(=O)C

InChI

InChI=1S/C22H26O2S2/c1-4-11-19(24-18(3)23)16-17(2)22(25-20-12-7-5-8-13-20)26-21-14-9-6-10-15-21/h5-10,12-15,19H,4,11,16H2,1-3H3