O-ethyl [2-(4-octadecylphenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-(4-octadecylphenyl)-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-(4-octadecylphenyl)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(4-octadecylphenyl)-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-(4-octadecylphenyl)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(4-stearylphenyl)ethyl]thio]methanethioic acid O-ethyl ester Formula: C29H48O2S2 MolecularWeight: 492.82022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC(=S)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CSC(=S)OCC

InChI

InChI=1S/C29H48O2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-23-27(24-22-26)28(30)25-33-29(32)31-4-2/h21-24H,3-20,25H2,1-2H3