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3-[(E)-4-ethanoyl-8-oxidanyl-tridec-1-enyl]benzoic acid

3-[(E)-4-ethanoyl-8-oxidanyl-tridec-1-enyl]benzoic acid

Systemtic Name:3-[(E)-4-ethanoyl-8-oxidanyl-tridec-1-enyl]benzoic acid
Openeye Name:3-[(E)-4-acetyl-8-hydroxy-tridec-1-enyl]benzoic acid
CAS Name:3-[(E)-4-acetyl-8-hydroxytridec-1-enyl]benzoic acid
IUPAC Name:3-[(E)-4-acetyl-8-hydroxytridec-1-enyl]benzoic acid
Traditional Name:3-[(E)-4-acetyl-8-hydroxy-tridec-1-enyl]benzoic acid
Formula: C22H32O4
MolecularWeight: 360.48708
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CC=CC1=CC(=CC=C1)C(=O)O)C(=O)C)O


Isomeric SMILES

CCCCCC(CCCC(C/C=C/C1=CC(=CC=C1)C(=O)O)C(=O)C)O


InChI

InChI=1S/C22H32O4/c1-3-4-5-14-21(24)15-8-12-19(17(2)23)11-6-9-18-10-7-13-20(16-18)22(25)26/h6-7,9-10,13,16,19,21,24H,3-5,8,11-12,14-15H2,1-2H3,(H,25,26)/b9-6+


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