(E)-8-(1-hydroxyethyl)-13-(3-methylphenoxy)-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-8-(1-hydroxyethyl)-13-(3-methylphenoxy)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methylphenoxy)tridec-5-enoic acid CAS Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methylphenoxy)-5-tridecenoic acid IUPAC Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methylphenoxy)tridec-5-enoic acid Traditional Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methylphenoxy)tridec-5-enoic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCC(CC=CCCCC(=O)O)C(C)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCC(C/C=C/CCCC(=O)O)C(C)O)O

InChI

InChI=1S/C22H34O5/c1-17-9-7-13-21(15-17)27-16-20(24)12-8-11-19(18(2)23)10-5-3-4-6-14-22(25)26/h3,5,7,9,13,15,18-20,23-24H,4,6,8,10-12,14,16H2,1-2H3,(H,25,26)/b5-3+