1-sulfanylethyl heptanoate

Systemtic Name: 1-sulfanylethyl heptanoate Openeye Name: 1-sulfanylethyl heptanoate CAS Name: heptanoic acid 1-mercaptoethyl ester IUPAC Name: 1-sulfanylethyl heptanoate Traditional Name: enanthic acid 1-mercaptoethyl ester Formula: C9H18O2S MolecularWeight: 190.30302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)S

Isomeric SMILES

CCCCCCC(=O)OC(C)S

InChI

InChI=1S/C9H18O2S/c1-3-4-5-6-7-9(10)11-8(2)12/h8,12H,3-7H2,1-2H3