2-[2-(2,2-dimethyl-3-octadecoxy-3-oxidanylidene-propyl)sulfanylethanoyloxy]ethyl 2,2-dimethyl-4-phenyl-hexanoate

Systemtic Name: 2-[2-(2,2-dimethyl-3-octadecoxy-3-oxidanylidene-propyl)sulfanylethanoyloxy]ethyl 2,2-dimethyl-4-phenyl-hexanoate Openeye Name: 2-[2-(2,2-dimethyl-3-octadecoxy-3-oxo-propyl)sulfanylacetyl]oxyethyl 2,2-dimethyl-4-phenyl-hexanoate CAS Name: 2,2-dimethyl-4-phenylhexanoic acid 2-[2-[(2,2-dimethyl-3-octadecoxy-3-oxopropyl)thio]-1-oxoethoxy]ethyl ester IUPAC Name: 2-[2-(2,2-dimethyl-3-octadecoxy-3-oxopropyl)sulfanylacetyl]oxyethyl 2,2-dimethyl-4-phenylhexanoate Traditional Name: 2,2-dimethyl-4-phenyl-hexanoic acid 2-[2-[(3-keto-2,2-dimethyl-3-stearyloxy-propyl)thio]acetyl]oxyethyl ester Formula: C41H70O6S MolecularWeight: 691.0559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)CSCC(=O)OCCOC(=O)C(C)(C)CC(CC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)CSCC(=O)OCCOC(=O)C(C)(C)CC(CC)C1=CC=CC=C1

InChI

InChI=1S/C41H70O6S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-46-39(44)41(5,6)34-48-33-37(42)45-30-31-47-38(43)40(3,4)32-35(8-2)36-27-24-23-25-28-36/h23-25,27-28,35H,7-22,26,29-34H2,1-6H3