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3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]methyl]benzoic acid

3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]methyl]benzoic acid

Systemtic Name:3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]methyl]benzoic acid
Openeye Name:3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]methyl]benzoic acid
CAS Name:3-[[3-(2-carboxyethyl)-4-decoxyphenyl]methyl]benzoic acid
IUPAC Name:3-[[3-(2-carboxyethyl)-4-decoxyphenyl]methyl]benzoic acid
Traditional Name:3-[3-(2-carboxyethyl)-4-decoxy-benzyl]benzoic acid
Formula: C27H36O5
MolecularWeight: 440.57174
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)CC2=CC=CC(=C2)C(=O)O)CCC(=O)O


Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC2=CC=CC(=C2)C(=O)O)CCC(=O)O


InChI

InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-17-32-25-15-13-22(19-23(25)14-16-26(28)29)18-21-11-10-12-24(20-21)27(30)31/h10-13,15,19-20H,2-9,14,16-18H2,1H3,(H,28,29)(H,30,31)


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