methyl (E)-7-[2-[(E)-7-methoxy-7-oxidanylidene-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate

Systemtic Name: methyl (E)-7-[2-[(E)-7-methoxy-7-oxidanylidene-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate Openeye Name: methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate CAS Name: (E)-7-[2-[(E)-7-methoxy-7-oxohept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(E)-7-methoxy-7-oxohept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate Traditional Name: (E)-7-[2-[(E)-7-keto-7-methoxy-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoic acid methyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC#CC1=CC=CC=C1C#CCCC=CC(=O)OC

Isomeric SMILES

COC(=O)/C=C/CCC#CC1=CC=CC=C1C#CCC/C=C/C(=O)OC

InChI

InChI=1S/C22H22O4/c1-25-21(23)17-9-5-3-7-13-19-15-11-12-16-20(19)14-8-4-6-10-18-22(24)26-2/h9-12,15-18H,3-6H2,1-2H3/b17-9+,18-10+