S-(1-butoxy-3-chloranyl-propan-2-yl) benzenecarbothioate

Systemtic Name: S-(1-butoxy-3-chloranyl-propan-2-yl) benzenecarbothioate Openeye Name: S-[1-(butoxymethyl)-2-chloro-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-(1-butoxy-3-chloropropan-2-yl) ester IUPAC Name: S-(1-butoxy-3-chloropropan-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(butoxymethyl)-2-chloro-ethyl] ester Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CCl)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCOCC(CCl)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H19ClO2S/c1-2-3-9-17-11-13(10-15)18-14(16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3