octadecyl (E)-2-(sulfanylmethyl)hex-4-enoate

Systemtic Name: octadecyl (E)-2-(sulfanylmethyl)hex-4-enoate Openeye Name: octadecyl (E)-2-(sulfanylmethyl)hex-4-enoate CAS Name: (E)-2-(mercaptomethyl)-4-hexenoic acid octadecyl ester IUPAC Name: octadecyl (E)-2-(sulfanylmethyl)hex-4-enoate Traditional Name: (E)-2-(mercaptomethyl)hex-4-enoic acid stearyl ester Formula: C25H48O2S MolecularWeight: 412.71242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC=CC)CS

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C/C=C/C)CS

InChI

InChI=1S/C25H48O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-25(26)24(23-28)21-6-4-2/h4,6,24,28H,3,5,7-23H2,1-2H3/b6-4+