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5-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid

5-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name:5-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-5-[1-methyl-1-(4-octadecoxyphenyl)ethyl]benzoic acid
CAS Name:2-hydroxy-5-[2-(4-octadecoxyphenyl)propan-2-yl]benzoic acid
IUPAC Name:2-hydroxy-5-[2-(4-octadecoxyphenyl)propan-2-yl]benzoic acid
Traditional Name:2-hydroxy-5-[1-methyl-1-(4-stearyloxyphenyl)ethyl]benzoic acid
Formula: C34H52O4
MolecularWeight: 524.77428
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(C)C2=CC(=C(C=C2)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(C)C2=CC(=C(C=C2)O)C(=O)O


InChI

InChI=1S/C34H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-38-30-23-20-28(21-24-30)34(2,3)29-22-25-32(35)31(27-29)33(36)37/h20-25,27,35H,4-19,26H2,1-3H3,(H,36,37)


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