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4-[3-(5-hexanoyl-2-phenylmethoxy-phenyl)propyl]benzoic acid

4-[3-(5-hexanoyl-2-phenylmethoxy-phenyl)propyl]benzoic acid

Systemtic Name:4-[3-(5-hexanoyl-2-phenylmethoxy-phenyl)propyl]benzoic acid
Openeye Name:4-[3-(2-benzyloxy-5-hexanoyl-phenyl)propyl]benzoic acid
CAS Name:4-[3-[5-(1-oxohexyl)-2-phenylmethoxyphenyl]propyl]benzoic acid
IUPAC Name:4-[3-(5-hexanoyl-2-phenylmethoxyphenyl)propyl]benzoic acid
Traditional Name:4-[3-(2-benzoxy-5-caproyl-phenyl)propyl]benzoic acid
Formula: C29H32O4
MolecularWeight: 444.56198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)CCCC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C29H32O4/c1-2-3-5-13-27(30)25-18-19-28(33-21-23-9-6-4-7-10-23)26(20-25)12-8-11-22-14-16-24(17-15-22)29(31)32/h4,6-7,9-10,14-20H,2-3,5,8,11-13,21H2,1H3,(H,31,32)


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