hexadecan-4-yl 2-phenylsulfanylethanoate

Systemtic Name: hexadecan-4-yl 2-phenylsulfanylethanoate Openeye Name: 1-propyltridecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-propyltridecyl ester Formula: C24H40O2S MolecularWeight: 392.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C24H40O2S/c1-3-5-6-7-8-9-10-11-12-14-18-22(17-4-2)26-24(25)21-27-23-19-15-13-16-20-23/h13,15-16,19-20,22H,3-12,14,17-18,21H2,1-2H3