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3-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid

3-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name:3-[2-(4-octadecoxyphenyl)propan-2-yl]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-3-[1-methyl-1-(4-octadecoxyphenyl)ethyl]benzoic acid
CAS Name:2-hydroxy-3-[2-(4-octadecoxyphenyl)propan-2-yl]benzoic acid
IUPAC Name:2-hydroxy-3-[2-(4-octadecoxyphenyl)propan-2-yl]benzoic acid
Traditional Name:2-hydroxy-3-[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=CC(=C2O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC(=C2O)C(=O)O


InChI

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


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