S-ethyl 2-[(3R,5R)-5-hexadecyl-3,5-dimethyl-1,2-dioxolan-3-yl]ethanethioate

Systemtic Name: S-ethyl 2-[(3R,5R)-5-hexadecyl-3,5-dimethyl-1,2-dioxolan-3-yl]ethanethioate Openeye Name: S-ethyl 2-[(3R,5R)-5-hexadecyl-3,5-dimethyl-dioxolan-3-yl]ethanethioate CAS Name: 2-[(3R,5R)-5-hexadecyl-3,5-dimethyl-3-dioxolanyl]ethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[(3R,5R)-5-hexadecyl-3,5-dimethyldioxolan-3-yl]ethanethioate Traditional Name: 2-[(3R,5R)-5-cetyl-3,5-dimethyl-dioxolan-3-yl]ethanethioic acid S-ethyl ester Formula: C25H48O3S MolecularWeight: 428.71182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CC(OO1)(C)CC(=O)SCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@@]1(C[C@](OO1)(C)CC(=O)SCC)C

InChI

InChI=1S/C25H48O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(3)22-25(4,28-27-24)21-23(26)29-6-2/h5-22H2,1-4H3/t24-,25+/m1/s1