4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-thiophen-3-yl-phenoxy)hexyl]phenoxy]butanoic acid

Systemtic Name: 4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-thiophen-3-yl-phenoxy)hexyl]phenoxy]butanoic acid Openeye Name: 4-[2-(2-carboxyethyl)-3-[6-[3-phenyl-5-(3-thienyl)phenoxy]hexyl]phenoxy]butanoic acid CAS Name: 4-[2-(2-carboxyethyl)-3-[6-[3-phenyl-5-(3-thiophenyl)phenoxy]hexyl]phenoxy]butanoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-thiophen-3-ylphenoxy)hexyl]phenoxy]butanoic acid Traditional Name: 4-[2-(2-carboxyethyl)-3-[6-[3-phenyl-5-(3-thienyl)phenoxy]hexyl]phenoxy]butyric acid Formula: C35H38O6S MolecularWeight: 586.73762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2)OCCCCCCC3=C(C(=CC=C3)OCCCC(=O)O)CCC(=O)O)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2)OCCCCCCC3=C(C(=CC=C3)OCCCC(=O)O)CCC(=O)O)C4=CSC=C4

InChI

InChI=1S/C35H38O6S/c36-34(37)15-9-20-41-33-14-8-13-27(32(33)16-17-35(38)39)12-4-1-2-7-19-40-31-23-29(26-10-5-3-6-11-26)22-30(24-31)28-18-21-42-25-28/h3,5-6,8,10-11,13-14,18,21-25H,1-2,4,7,9,12,15-17,19-20H2,(H,36,37)(H,38,39)