(Z)-8-ethanoyl-12-methyl-8-phenyl-heptadec-11-enoic acid

Systemtic Name: (Z)-8-ethanoyl-12-methyl-8-phenyl-heptadec-11-enoic acid Openeye Name: (Z)-8-acetyl-12-methyl-8-phenyl-heptadec-11-enoic acid CAS Name: (Z)-8-acetyl-12-methyl-8-phenyl-11-heptadecenoic acid IUPAC Name: (Z)-8-acetyl-12-methyl-8-phenylheptadec-11-enoic acid Traditional Name: (Z)-8-acetyl-12-methyl-8-phenyl-heptadec-11-enoic acid Formula: C26H40O3 MolecularWeight: 400.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C(=C\CCC(CCCCCCC(=O)O)(C1=CC=CC=C1)C(=O)C)/C

InChI

InChI=1S/C26H40O3/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/h8,10-11,16-18H,4-7,9,12-15,19-21H2,1-3H3,(H,28,29)/b22-16-