ethyl 8-ethanoyl-13-(3-methylphenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: ethyl 8-ethanoyl-13-(3-methylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: ethyl 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoate CAS Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoate Traditional Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid ethyl ester Formula: C24H38O5 MolecularWeight: 406.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(CCCC(COC1=CC=CC(=C1)C)O)C(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCC(CCCC(COC1=CC=CC(=C1)C)O)C(=O)C

InChI

InChI=1S/C24H38O5/c1-4-28-24(27)16-8-6-5-7-12-21(20(3)25)13-10-14-22(26)18-29-23-15-9-11-19(2)17-23/h9,11,15,17,21-22,26H,4-8,10,12-14,16,18H2,1-3H3