heptyl 2-phenylsulfanylethanoate

Systemtic Name: heptyl 2-phenylsulfanylethanoate Openeye Name: heptyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid heptyl ester IUPAC Name: heptyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid heptyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCOC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C15H22O2S/c1-2-3-4-5-9-12-17-15(16)13-18-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3