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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)O)CCCO

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)O)CCCO

InChI

InChI=1S/C26H36O5/c1-2-3-4-5-6-7-8-9-19-30-25-20-24(17-12-21(25)11-10-18-27)31-23-15-13-22(14-16-23)26(28)29/h12-17,20,27H,2-11,18-19H2,1H3,(H,28,29)