S-(2-oxidanylhex-5-enyl) benzenecarbothioate

Systemtic Name: S-(2-oxidanylhex-5-enyl) benzenecarbothioate Openeye Name: S-(2-hydroxyhex-5-enyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(2-hydroxyhex-5-enyl) ester IUPAC Name: S-(2-hydroxyhex-5-enyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-hydroxyhex-5-enyl) ester Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CSC(=O)C1=CC=CC=C1)O

Isomeric SMILES

C=CCCC(CSC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C13H16O2S/c1-2-3-9-12(14)10-16-13(15)11-7-5-4-6-8-11/h2,4-8,12,14H,1,3,9-10H2