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5-acetyloxy-5-[3-[(E)-3-oxidanylundec-1-enyl]phenyl]pentanoic acid

5-acetyloxy-5-[3-[(E)-3-oxidanylundec-1-enyl]phenyl]pentanoic acid

Systemtic Name:5-acetyloxy-5-[3-[(E)-3-oxidanylundec-1-enyl]phenyl]pentanoic acid
Openeye Name:5-acetoxy-5-[3-[(E)-3-hydroxyundec-1-enyl]phenyl]pentanoic acid
CAS Name:5-acetyloxy-5-[3-[(E)-3-hydroxyundec-1-enyl]phenyl]pentanoic acid
IUPAC Name:5-acetyloxy-5-[3-[(E)-3-hydroxyundec-1-enyl]phenyl]pentanoic acid
Traditional Name:5-acetoxy-5-[3-[(E)-3-hydroxyundec-1-enyl]phenyl]valeric acid
Formula: C24H36O5
MolecularWeight: 404.53964
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1=CC(=CC=C1)C(CCCC(=O)O)OC(=O)C)O


Isomeric SMILES

CCCCCCCCC(/C=C/C1=CC(=CC=C1)C(CCCC(=O)O)OC(=O)C)O


InChI

InChI=1S/C24H36O5/c1-3-4-5-6-7-8-13-22(26)17-16-20-11-9-12-21(18-20)23(29-19(2)25)14-10-15-24(27)28/h9,11-12,16-18,22-23,26H,3-8,10,13-15H2,1-2H3,(H,27,28)/b17-16+


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