methyl 11-[5-[(E)-3-oxidanylidenepent-1-enyl]furan-2-yl]undec-10-ynoate

Systemtic Name: methyl 11-[5-[(E)-3-oxidanylidenepent-1-enyl]furan-2-yl]undec-10-ynoate Openeye Name: methyl 11-[5-[(E)-3-oxopent-1-enyl]-2-furyl]undec-10-ynoate CAS Name: 11-[5-[(E)-3-oxopent-1-enyl]-2-furanyl]-10-undecynoic acid methyl ester IUPAC Name: methyl 11-[5-[(E)-3-oxopent-1-enyl]furan-2-yl]undec-10-ynoate Traditional Name: 11-[5-[(E)-3-ketopent-1-enyl]-2-furyl]undec-10-ynoic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C=CC1=CC=C(O1)C#CCCCCCCCCC(=O)OC

Isomeric SMILES

CCC(=O)/C=C/C1=CC=C(O1)C#CCCCCCCCCC(=O)OC

InChI

InChI=1S/C21H28O4/c1-3-18(22)14-15-20-17-16-19(25-20)12-10-8-6-4-5-7-9-11-13-21(23)24-2/h14-17H,3-9,11,13H2,1-2H3/b15-14+