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5-[2-[(E)-5-acetyloxytridec-3-enyl]phenyl]pentanoic acid

5-[2-[(E)-5-acetyloxytridec-3-enyl]phenyl]pentanoic acid

Systemtic Name:5-[2-[(E)-5-acetyloxytridec-3-enyl]phenyl]pentanoic acid
Openeye Name:5-[2-[(E)-5-acetoxytridec-3-enyl]phenyl]pentanoic acid
CAS Name:5-[2-[(E)-5-acetyloxytridec-3-enyl]phenyl]pentanoic acid
IUPAC Name:5-[2-[(E)-5-acetyloxytridec-3-enyl]phenyl]pentanoic acid
Traditional Name:5-[2-[(E)-5-acetoxytridec-3-enyl]phenyl]valeric acid
Formula: C26H40O4
MolecularWeight: 416.5934
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CCCC1=CC=CC=C1CCCCC(=O)O)OC(=O)C


Isomeric SMILES

CCCCCCCCC(/C=C/CCC1=CC=CC=C1CCCCC(=O)O)OC(=O)C


InChI

InChI=1S/C26H40O4/c1-3-4-5-6-7-8-19-25(30-22(2)27)20-13-11-17-23-15-9-10-16-24(23)18-12-14-21-26(28)29/h9-10,13,15-16,20,25H,3-8,11-12,14,17-19,21H2,1-2H3,(H,28,29)/b20-13+


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