(5-oxidanyloxan-2-yl) 2-[ethanoyl-[(E)-icos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoate

Systemtic Name: (5-oxidanyloxan-2-yl) 2-[ethanoyl-[(E)-icos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoate Openeye Name: (5-hydroxytetrahydropyran-2-yl) 2-[acetyl-[(E)-icos-1-enyl]amino]-2-methyl-3-sulfanyl-propaneperoxoate CAS Name: 2-[acetyl-[(E)-eicos-1-enyl]amino]-3-mercapto-2-methylpropaneperoxoic acid (5-hydroxy-2-oxanyl) ester IUPAC Name: (5-hydroxyoxan-2-yl) 2-[acetyl-[(E)-icos-1-enyl]amino]-2-methyl-3-sulfanylpropaneperoxoate Traditional Name: 2-[acetyl-[(E)-eicos-1-enyl]amino]-3-mercapto-2-methyl-peroxypropionic acid (5-hydroxytetrahydropyran-2-yl) ester Formula: C31H57NO6S MolecularWeight: 571.85238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC=CN(C(=O)C)C(C)(CS)C(=O)OOC1CCC(CO1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC/C=C/N(C(=O)C)C(C)(CS)C(=O)OOC1CCC(CO1)O

InChI

InChI=1S/C31H57NO6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(27(2)33)31(3,26-39)30(35)38-37-29-23-22-28(34)25-36-29/h21,24,28-29,34,39H,4-20,22-23,25-26H2,1-3H3/b24-21+