4-octylperoxy-4-oxidanylidene-3-sulfanyl-butanoate

Systemtic Name: 4-octylperoxy-4-oxidanylidene-3-sulfanyl-butanoate Openeye Name: 4-octylperoxy-4-oxo-3-sulfanyl-butanoate CAS Name: 3-mercapto-4-octyldioxy-4-oxobutanoate IUPAC Name: 4-octylperoxy-4-oxo-3-sulfanylbutanoate Traditional Name: 4-keto-3-mercapto-4-octylperoxy-butyrate Formula: C12H21O5S- MolecularWeight: 277.35714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C(CC(=O)[O-])S

Isomeric SMILES

CCCCCCCCOOC(=O)C(CC(=O)[O-])S

InChI

InChI=1S/C12H22O5S/c1-2-3-4-5-6-7-8-16-17-12(15)10(18)9-11(13)14/h10,18H,2-9H2,1H3,(H,13,14)/p-1