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

Systemtic Name: 2-[3-[3-[2-ethyl-5-oxidanyl-4-(thiolan-3-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-tetrahydrothiophen-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(3-thiolanyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(thiolan-3-yl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-tetrahydrothiophen-3-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H36O6S MolecularWeight: 536.67894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCSC3)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3CCSC3)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H36O6S/c1-3-9-23-27(12-7-13-28(23)37-29-11-6-5-10-24(29)31(33)34)35-15-8-16-36-30-19-26(32)25(18-21(30)4-2)22-14-17-38-20-22/h5-7,10-13,18-19,22,32H,3-4,8-9,14-17,20H2,1-2H3,(H,33,34)