methyl (E)-2-methyl-2-oxidanyl-4-oxidanylidene-henicos-12-enoate

Systemtic Name: methyl (E)-2-methyl-2-oxidanyl-4-oxidanylidene-henicos-12-enoate Openeye Name: methyl (E)-2-hydroxy-2-methyl-4-oxo-henicos-12-enoate CAS Name: (E)-2-hydroxy-2-methyl-4-oxo-12-heneicosenoic acid methyl ester IUPAC Name: methyl (E)-2-hydroxy-2-methyl-4-oxohenicos-12-enoate Traditional Name: (E)-2-hydroxy-4-keto-2-methyl-heneicos-12-enoic acid methyl ester Formula: C23H42O4 MolecularWeight: 382.57718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC(C)(C(=O)OC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)CC(C)(C(=O)OC)O

InChI

InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)20-23(2,26)22(25)27-3/h11-12,26H,4-10,13-20H2,1-3H3/b12-11+