tridecyl 2-phenylsulfanylethanoate

Systemtic Name: tridecyl 2-phenylsulfanylethanoate Openeye Name: tridecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid tridecyl ester IUPAC Name: tridecyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid tridecyl ester Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C21H34O2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-24-20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3