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4-[3-decoxy-2-(3-oxidanylpropyl)phenoxy]benzoic acid

4-[3-decoxy-2-(3-oxidanylpropyl)phenoxy]benzoic acid

Systemtic Name:4-[3-decoxy-2-(3-oxidanylpropyl)phenoxy]benzoic acid
Openeye Name:4-[3-decoxy-2-(3-hydroxypropyl)phenoxy]benzoic acid
CAS Name:4-[3-decoxy-2-(3-hydroxypropyl)phenoxy]benzoic acid
IUPAC Name:4-[3-decoxy-2-(3-hydroxypropyl)phenoxy]benzoic acid
Traditional Name:4-[3-decoxy-2-(3-hydroxypropyl)phenoxy]benzoic acid
Formula: C26H36O5
MolecularWeight: 428.56104
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1CCCO)OC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1CCCO)OC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C26H36O5/c1-2-3-4-5-6-7-8-9-20-30-24-13-10-14-25(23(24)12-11-19-27)31-22-17-15-21(16-18-22)26(28)29/h10,13-18,27H,2-9,11-12,19-20H2,1H3,(H,28,29)


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