8-ethanoyl-8-(4-methoxyphenyl)-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-8-(4-methoxyphenyl)-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-8-(4-methoxyphenyl)heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-8-(4-methoxyphenyl)heptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-8-(4-methoxyphenyl)heptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-8-(4-methoxyphenyl)heptadecanoic acid Formula: C26H42O5 MolecularWeight: 434.60868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5/c1-4-5-8-12-23(28)13-11-20-26(21(2)27,19-10-7-6-9-14-25(29)30)22-15-17-24(31-3)18-16-22/h15-18,23,28H,4-14,19-20H2,1-3H3,(H,29,30)