S-[5-(4-methanoylphenyl)pentyl] ethanethioate

Systemtic Name: S-[5-(4-methanoylphenyl)pentyl] ethanethioate Openeye Name: S-[5-(4-formylphenyl)pentyl] ethanethioate CAS Name: ethanethioic acid S-[5-(4-formylphenyl)pentyl] ester IUPAC Name: S-[5-(4-formylphenyl)pentyl] ethanethioate Traditional Name: ethanethioic acid S-[5-(4-formylphenyl)pentyl] ester Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC1=CC=C(C=C1)C=O

Isomeric SMILES

CC(=O)SCCCCCC1=CC=C(C=C1)C=O

InChI

InChI=1S/C14H18O2S/c1-12(16)17-10-4-2-3-5-13-6-8-14(11-15)9-7-13/h6-9,11H,2-5,10H2,1H3