methyl (E)-6-(dioxidanyl)-6-methoxy-undec-2-en-10-ynoate

Systemtic Name: methyl (E)-6-(dioxidanyl)-6-methoxy-undec-2-en-10-ynoate Openeye Name: methyl (E)-6-hydroperoxy-6-methoxy-undec-2-en-10-ynoate CAS Name: (E)-6-hydroperoxy-6-methoxyundec-2-en-10-ynoic acid methyl ester IUPAC Name: methyl (E)-6-hydroperoxy-6-methoxyundec-2-en-10-ynoate Traditional Name: (E)-6-hydroperoxy-6-methoxy-undec-2-en-10-ynoic acid methyl ester Formula: C13H20O5 MolecularWeight: 256.2949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC(CCCC#C)(OC)OO

Isomeric SMILES

COC(=O)/C=C/CCC(CCCC#C)(OC)OO

InChI

InChI=1S/C13H20O5/c1-4-5-7-10-13(17-3,18-15)11-8-6-9-12(14)16-2/h1,6,9,15H,5,7-8,10-11H2,2-3H3/b9-6+