ethyl 2,2-bis[(E)-3-methyl-4-oxidanyl-but-2-enyl]-3-oxidanylidene-tridec-12-enoate

Systemtic Name: ethyl 2,2-bis[(E)-3-methyl-4-oxidanyl-but-2-enyl]-3-oxidanylidene-tridec-12-enoate Openeye Name: ethyl 2,2-bis[(E)-4-hydroxy-3-methyl-but-2-enyl]-3-oxo-tridec-12-enoate CAS Name: 2,2-bis[(E)-4-hydroxy-3-methylbut-2-enyl]-3-oxo-12-tridecenoic acid ethyl ester IUPAC Name: ethyl 2,2-bis[(E)-4-hydroxy-3-methylbut-2-enyl]-3-oxotridec-12-enoate Traditional Name: 2,2-bis[(E)-4-hydroxy-3-methyl-but-2-enyl]-3-keto-tridec-12-enoic acid ethyl ester Formula: C25H42O5 MolecularWeight: 422.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C(C)CO)(CC=C(C)CO)C(=O)CCCCCCCCC=C

Isomeric SMILES

CCOC(=O)C(C(=O)CCCCCCCCC=C)(C/C=C(/CO)\C)C/C=C(/CO)\C

InChI

InChI=1S/C25H42O5/c1-5-7-8-9-10-11-12-13-14-23(28)25(24(29)30-6-2,17-15-21(3)19-26)18-16-22(4)20-27/h5,15-16,26-27H,1,6-14,17-20H2,2-4H3/b21-15+,22-16+