pentadecan-3-yl 2-phenylsulfanylethanoate

Systemtic Name: pentadecan-3-yl 2-phenylsulfanylethanoate Openeye Name: 1-ethyltridecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid pentadecan-3-yl ester IUPAC Name: pentadecan-3-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-ethyltridecyl ester Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O2S/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)25-23(24)20-26-22-18-15-13-16-19-22/h13,15-16,18-19,21H,3-12,14,17,20H2,1-2H3