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

Systemtic Name: methyl (E)-6-[5-[(E)-3-oxidanylundec-5-en-1-ynyl]furan-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hex-5-enoate CAS Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furanyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]furan-2-yl]hex-5-enoate Traditional Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hex-5-enoic acid methyl ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4/c1-3-4-5-6-7-9-12-19(23)15-16-21-18-17-20(26-21)13-10-8-11-14-22(24)25-2/h7,9-10,13,17-19,23H,3-6,8,11-12,14H2,1-2H3/b9-7+,13-10+