8-ethanoyl-12-methyl-8-phenyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-12-methyl-8-phenyl-heptadecanoic acid Openeye Name: 8-acetyl-12-methyl-8-phenyl-heptadecanoic acid CAS Name: 8-acetyl-12-methyl-8-phenylheptadecanoic acid IUPAC Name: 8-acetyl-12-methyl-8-phenylheptadecanoic acid Traditional Name: 8-acetyl-12-methyl-8-phenyl-heptadecanoic acid Formula: C26H42O3 MolecularWeight: 402.60988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCCC(CCCCCCC(=O)O)(C1=CC=CC=C1)C(=O)C

Isomeric SMILES

CCCCCC(C)CCCC(CCCCCCC(=O)O)(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C26H42O3/c1-4-5-9-15-22(2)16-14-21-26(23(3)27,24-17-10-8-11-18-24)20-13-7-6-12-19-25(28)29/h8,10-11,17-18,22H,4-7,9,12-16,19-21H2,1-3H3,(H,28,29)