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

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-thiophen-2-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(2-thienyl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-thiophen-2-ylphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-thiophen-2-ylphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(2-thienyl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H32O6S MolecularWeight: 532.64718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CS3)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CC=CS3)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H32O6S/c1-3-10-22-26(13-7-14-27(22)37-28-12-6-5-11-23(28)31(33)34)35-16-9-17-36-29-20-25(32)24(19-21(29)4-2)30-15-8-18-38-30/h5-8,11-15,18-20,32H,3-4,9-10,16-17H2,1-2H3,(H,33,34)