methyl (E)-13-methyl-12-methylidene-13-oxidanyl-tetradec-9-enoate

Systemtic Name: methyl (E)-13-methyl-12-methylidene-13-oxidanyl-tetradec-9-enoate Openeye Name: methyl (E)-13-hydroxy-13-methyl-12-methylene-tetradec-9-enoate CAS Name: (E)-13-hydroxy-13-methyl-12-methylene-9-tetradecenoic acid methyl ester IUPAC Name: methyl (E)-13-hydroxy-13-methyl-12-methylidenetetradec-9-enoate Traditional Name: (9E)-12-(1-hydroxy-1-methyl-ethyl)trideca-9,12-dienoic acid methyl ester Formula: C17H30O3 MolecularWeight: 282.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30O3/c1-15(17(2,3)19)13-11-9-7-5-6-8-10-12-14-16(18)20-4/h9,11,19H,1,5-8,10,12-14H2,2-4H3/b11-9+