4-[(E)-4-ethanoyl-8-oxidanyl-tridec-6-enyl]benzoic acid

Systemtic Name: 4-[(E)-4-ethanoyl-8-oxidanyl-tridec-6-enyl]benzoic acid Openeye Name: 4-[(E)-4-acetyl-8-hydroxy-tridec-6-enyl]benzoic acid CAS Name: 4-[(E)-4-acetyl-8-hydroxytridec-6-enyl]benzoic acid IUPAC Name: 4-[(E)-4-acetyl-8-hydroxytridec-6-enyl]benzoic acid Traditional Name: 4-[(E)-4-acetyl-8-hydroxy-tridec-6-enyl]benzoic acid Formula: C22H32O4 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCC(/C=C/CC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)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/h7,12-16,19,21,24H,3-6,8-11H2,1-2H3,(H,25,26)/b12-7+