2-[3-[3-[2-ethyl-4-(furan-2-yl)-5-oxidanyl-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid

Systemtic Name: 2-[3-[3-[2-ethyl-4-(furan-2-yl)-5-oxidanyl-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[2-ethyl-4-(2-furyl)-5-hydroxy-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-4-(2-furanyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-4-(furan-2-yl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-[2-ethyl-4-(2-furyl)-5-hydroxy-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H32O7 MolecularWeight: 516.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CO3)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CO3)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H32O7/c1-3-10-22-26(13-7-14-28(22)38-29-12-6-5-11-23(29)31(33)34)36-17-9-18-37-30-20-25(32)24(19-21(30)4-2)27-15-8-16-35-27/h5-8,11-16,19-20,32H,3-4,9-10,17-18H2,1-2H3,(H,33,34)