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

Systemtic Name: 8-ethanoyl-12-oxidanyl-13-phenoxy-tridecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13-phenoxy-tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-phenoxytridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-phenoxytridecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13-phenoxy-tridecanoic acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC=C1)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC=C1)O

InChI

InChI=1S/C21H32O5/c1-17(22)18(10-5-2-3-8-15-21(24)25)11-9-12-19(23)16-26-20-13-6-4-7-14-20/h4,6-7,13-14,18-19,23H,2-3,5,8-12,15-16H2,1H3,(H,24,25)