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2-methyl-4-pentyl-benzoic acid

2-methyl-4-pentyl-benzoic acid

Systemtic Name:2-methyl-4-pentyl-benzoic acid
Openeye Name:2-methyl-4-pentyl-benzoic acid
CAS Name:2-methyl-4-pentylbenzoic acid
IUPAC Name:2-methyl-4-pentylbenzoic acid
Traditional Name:4-amyl-2-methyl-benzoic acid
Formula: C13H18O2
MolecularWeight: 206.28082
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)O)C


Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)O)C


InChI

InChI=1S/C13H18O2/c1-3-4-5-6-11-7-8-12(13(14)15)10(2)9-11/h7-9H,3-6H2,1-2H3,(H,14,15)


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