9,9-bis(phenylsulfanyl)hexadecan-8-yl ethanoate

Systemtic Name: 9,9-bis(phenylsulfanyl)hexadecan-8-yl ethanoate Openeye Name: [1-heptyl-2,2-bis(phenylsulfanyl)nonyl] acetate CAS Name: acetic acid 9,9-bis(phenylthio)hexadecan-8-yl ester IUPAC Name: 9,9-bis(phenylsulfanyl)hexadecan-8-yl acetate Traditional Name: acetic acid [1-heptyl-2,2-bis(phenylthio)nonyl] ester Formula: C30H44O2S2 MolecularWeight: 500.79916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCCCCC)(SC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCCCCC(C(CCCCCCC)(SC1=CC=CC=C1)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C30H44O2S2/c1-4-6-8-10-18-24-29(32-26(3)31)30(25-19-11-9-7-5-2,33-27-20-14-12-15-21-27)34-28-22-16-13-17-23-28/h12-17,20-23,29H,4-11,18-19,24-25H2,1-3H3