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

Systemtic Name: [2-methyl-1,1-bis(phenylsulfanyl)non-1-en-4-yl] ethanoate Openeye Name: 1-[2-methyl-3,3-bis(phenylsulfanyl)allyl]hexyl acetate CAS Name: acetic acid [2-methyl-1,1-bis(phenylthio)non-1-en-4-yl] ester IUPAC Name: [2-methyl-1,1-bis(phenylsulfanyl)non-1-en-4-yl] acetate Traditional Name: acetic acid [1-amyl-3-methyl-4,4-bis(phenylthio)but-3-enyl] ester Formula: C24H30O2S2 MolecularWeight: 414.6238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O2S2/c1-4-5-8-13-21(26-20(3)25)18-19(2)24(27-22-14-9-6-10-15-22)28-23-16-11-7-12-17-23/h6-7,9-12,14-17,21H,4-5,8,13,18H2,1-3H3