3,4-dihydro-2H-thiochromen-8-yl butaneperoxoate

Systemtic Name: 3,4-dihydro-2H-thiochromen-8-yl butaneperoxoate Openeye Name: thiochroman-8-yl butaneperoxoate CAS Name: butaneperoxoic acid 3,4-dihydro-2H-1-benzothiopyran-8-yl ester IUPAC Name: 3,4-dihydro-2H-thiochromen-8-yl butaneperoxoate Traditional Name: peroxybutyric acid thiochroman-8-yl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=CC2=C1SCCC2

Isomeric SMILES

CCCC(=O)OOC1=CC=CC2=C1SCCC2

InChI

InChI=1S/C13H16O3S/c1-2-5-12(14)16-15-11-8-3-6-10-7-4-9-17-13(10)11/h3,6,8H,2,4-5,7,9H2,1H3