tridecan-3-yl 2-phenylsulfanylethanoate

Systemtic Name: tridecan-3-yl 2-phenylsulfanylethanoate Openeye Name: 1-ethylundecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid tridecan-3-yl ester IUPAC Name: tridecan-3-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-ethylundecyl ester Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O2S/c1-3-5-6-7-8-9-10-12-15-19(4-2)23-21(22)18-24-20-16-13-11-14-17-20/h11,13-14,16-17,19H,3-10,12,15,18H2,1-2H3