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4-(4-ethanoyl-8-oxidanyl-tridec-12-enyl)benzoic acid

4-(4-ethanoyl-8-oxidanyl-tridec-12-enyl)benzoic acid

Systemtic Name:4-(4-ethanoyl-8-oxidanyl-tridec-12-enyl)benzoic acid
Openeye Name:4-(4-acetyl-8-hydroxy-tridec-12-enyl)benzoic acid
CAS Name:4-(4-acetyl-8-hydroxytridec-12-enyl)benzoic acid
IUPAC Name:4-(4-acetyl-8-hydroxytridec-12-enyl)benzoic acid
Traditional Name:4-(4-acetyl-8-hydroxy-tridec-12-enyl)benzoic acid
Formula: C22H32O4
MolecularWeight: 360.48708
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CCCC(CCCC=C)O


Isomeric SMILES

CC(=O)C(CCCC1=CC=C(C=C1)C(=O)O)CCCC(CCCC=C)O


InChI

InChI=1S/C22H32O4/c1-3-4-5-11-21(24)12-7-10-19(17(2)23)9-6-8-18-13-15-20(16-14-18)22(25)26/h3,13-16,19,21,24H,1,4-12H2,2H3,(H,25,26)


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