methyl 5-oxidanyl-6-[5-[(E)-3-oxidanylundec-5-en-1-ynyl]furan-2-yl]hexanoate

Systemtic Name: methyl 5-oxidanyl-6-[5-[(E)-3-oxidanylundec-5-en-1-ynyl]furan-2-yl]hexanoate Openeye Name: methyl 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hexanoate CAS Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furanyl]hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]furan-2-yl]hexanoate Traditional Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hexanoic acid methyl ester Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1=CC=C(O1)CC(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=CC=C(O1)CC(CCCC(=O)OC)O)O

InChI

InChI=1S/C22H32O5/c1-3-4-5-6-7-8-10-18(23)13-14-20-15-16-21(27-20)17-19(24)11-9-12-22(25)26-2/h7-8,15-16,18-19,23-24H,3-6,9-12,17H2,1-2H3/b8-7+