(2,2-dimethyl-3-oxidanyl-4-oxidanylidene-pentyl) (E)-12-methoxyoctadec-9-enoate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-4-oxidanylidene-pentyl) (E)-12-methoxyoctadec-9-enoate Openeye Name: (3-hydroxy-2,2-dimethyl-4-oxo-pentyl) (E)-12-methoxyoctadec-9-enoate CAS Name: (E)-12-methoxy-9-octadecenoic acid (3-hydroxy-2,2-dimethyl-4-oxopentyl) ester IUPAC Name: (3-hydroxy-2,2-dimethyl-4-oxopentyl) (E)-12-methoxyoctadec-9-enoate Traditional Name: (E)-12-methoxyoctadec-9-enoic acid (3-hydroxy-4-keto-2,2-dimethyl-pentyl) ester Formula: C26H48O5 MolecularWeight: 440.65632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O5/c1-6-7-8-15-18-23(30-5)19-16-13-11-9-10-12-14-17-20-24(28)31-21-26(3,4)25(29)22(2)27/h13,16,23,25,29H,6-12,14-15,17-21H2,1-5H3/b16-13+