8-ethanoyl-12-oxidanyl-13-phenylmethoxy-tridecanoic acid

Systemtic Name: 8-ethanoyl-12-oxidanyl-13-phenylmethoxy-tridecanoic acid Openeye Name: 8-acetyl-13-benzyloxy-12-hydroxy-tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-phenylmethoxytridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-phenylmethoxytridecanoic acid Traditional Name: 8-acetyl-13-benzoxy-12-hydroxy-tridecanoic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)O)CCCC(COCC1=CC=CC=C1)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(COCC1=CC=CC=C1)O

InChI

InChI=1S/C22H34O5/c1-18(23)20(12-7-2-3-8-15-22(25)26)13-9-14-21(24)17-27-16-19-10-5-4-6-11-19/h4-6,10-11,20-21,24H,2-3,7-9,12-17H2,1H3,(H,25,26)