octadecyl 2-phenylsulfanylethanoate

Systemtic Name: octadecyl 2-phenylsulfanylethanoate Openeye Name: octadecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid octadecyl ester IUPAC Name: octadecyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid stearyl ester Formula: C26H44O2S MolecularWeight: 420.69136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C26H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-26(27)24-29-25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3