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2-[(2-carboxy-5-octyl-phenyl)methoxymethyl]-4-octyl-benzoic acid

2-[(2-carboxy-5-octyl-phenyl)methoxymethyl]-4-octyl-benzoic acid

Systemtic Name:2-[(2-carboxy-5-octyl-phenyl)methoxymethyl]-4-octyl-benzoic acid
Openeye Name:2-[(2-carboxy-5-octyl-phenyl)methoxymethyl]-4-octyl-benzoic acid
CAS Name:2-[(2-carboxy-5-octylphenyl)methoxymethyl]-4-octylbenzoic acid
IUPAC Name:2-[(2-carboxy-5-octylphenyl)methoxymethyl]-4-octylbenzoic acid
Traditional Name:2-[(2-carboxy-5-octyl-benzyl)oxymethyl]-4-octyl-benzoic acid
Formula: C32H46O5
MolecularWeight: 510.70464
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)COCC2=C(C=CC(=C2)CCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)O)COCC2=C(C=CC(=C2)CCCCCCCC)C(=O)O


InChI

InChI=1S/C32H46O5/c1-3-5-7-9-11-13-15-25-17-19-29(31(33)34)27(21-25)23-37-24-28-22-26(18-20-30(28)32(35)36)16-14-12-10-8-6-4-2/h17-22H,3-16,23-24H2,1-2H3,(H,33,34)(H,35,36)


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