S-octadecyl propanethioate

Systemtic Name: S-octadecyl propanethioate Openeye Name: S-octadecyl propanethioate CAS Name: propanethioic acid S-octadecyl ester IUPAC Name: S-octadecyl propanethioate Traditional Name: propanethioic acid S-stearyl ester Formula: C42H84O2S2 MolecularWeight: 685.24516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)CC.CCCCCCCCCCCCCCCCCCSC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)CC.CCCCCCCCCCCCCCCCCCSC(=O)CC

InChI

InChI=1S/2C21H42OS/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h2*3-20H2,1-2H3