(E)-13-[2,4-bis(chloranyl)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-13-[2,4-bis(chloranyl)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-8-acetyl-13-(2,4-dichlorophenoxy)-12-hydroxy-tridec-5-enoic acid CAS Name: (E)-8-acetyl-13-(2,4-dichlorophenoxy)-12-hydroxy-5-tridecenoic acid IUPAC Name: (E)-8-acetyl-13-(2,4-dichlorophenoxy)-12-hydroxytridec-5-enoic acid Traditional Name: (E)-8-acetyl-13-(2,4-dichlorophenoxy)-12-hydroxy-tridec-5-enoic acid Formula: C21H28Cl2O5 MolecularWeight: 431.35002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC(COC1=C(C=C(C=C1)Cl)Cl)O)CC=CCCCC(=O)O

Isomeric SMILES

CC(=O)C(CCCC(COC1=C(C=C(C=C1)Cl)Cl)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C21H28Cl2O5/c1-15(24)16(7-4-2-3-5-10-21(26)27)8-6-9-18(25)14-28-20-12-11-17(22)13-19(20)23/h2,4,11-13,16,18,25H,3,5-10,14H2,1H3,(H,26,27)/b4-2+