ethyl (Z)-7-methoxy-5-oxidanyl-3-oxidanylidene-docos-6-en-15-ynoate

Systemtic Name: ethyl (Z)-7-methoxy-5-oxidanyl-3-oxidanylidene-docos-6-en-15-ynoate Openeye Name: ethyl (Z)-5-hydroxy-7-methoxy-3-oxo-docos-6-en-15-ynoate CAS Name: (Z)-5-hydroxy-7-methoxy-3-oxodocos-6-en-15-ynoic acid ethyl ester IUPAC Name: ethyl (Z)-5-hydroxy-7-methoxy-3-oxodocos-6-en-15-ynoate Traditional Name: (Z)-5-hydroxy-3-keto-7-methoxy-docos-6-en-15-ynoic acid ethyl ester Formula: C25H42O5 MolecularWeight: 422.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCCCCCCCC(=CC(CC(=O)CC(=O)OCC)O)OC

Isomeric SMILES

CCCCCCC#CCCCCCCC/C(=C/C(CC(=O)CC(=O)OCC)O)/OC

InChI

InChI=1S/C25H42O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29-3)20-22(26)19-23(27)21-25(28)30-5-2/h20,22,26H,4-9,12-19,21H2,1-3H3/b24-20-