8-ethanoyl-12-oxidanyl-8-phenyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-12-oxidanyl-8-phenyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-8-phenyl-heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-8-phenylheptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-8-phenylheptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-8-phenyl-heptadecanoic acid Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-3-4-8-16-23(27)17-13-20-25(21(2)26,22-14-9-7-10-15-22)19-12-6-5-11-18-24(28)29/h7,9-10,14-15,23,27H,3-6,8,11-13,16-20H2,1-2H3,(H,28,29)