S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) 2-(dioxidanylmethyl)heptanethioate

Systemtic Name: S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) 2-(dioxidanylmethyl)heptanethioate Openeye Name: S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) 2-(hydroperoxymethyl)heptanethioate CAS Name: 2-(hydroperoxymethyl)heptanethioic acid S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) ester IUPAC Name: S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) 2-(hydroperoxymethyl)heptanethioate Traditional Name: 2-(hydroperoxymethyl)heptanethioic acid S-(7-oxabicyclo[2.2.1]hept-2-en-5-yl) ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COO)C(=O)SC1CC2C=CC1O2

Isomeric SMILES

CCCCCC(COO)C(=O)SC1CC2C=CC1O2

InChI

InChI=1S/C14H22O4S/c1-2-3-4-5-10(9-17-16)14(15)19-13-8-11-6-7-12(13)18-11/h6-7,10-13,16H,2-5,8-9H2,1H3