3-[3-(2-carboxyethyl)-4-(4-thiophen-2-ylbutoxy)phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(4-thiophen-2-ylbutoxy)phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-[4-(2-thienyl)butoxy]benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-(4-thiophen-2-ylbutoxy)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(4-thiophen-2-ylbutoxy)benzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-[4-(2-thienyl)butoxy]benzoyl]benzoic acid Formula: C25H24O6S MolecularWeight: 452.51946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC(=C(C=C2)OCCCCC3=CC=CS3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC(=C(C=C2)OCCCCC3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C25H24O6S/c26-23(27)12-10-17-15-19(24(28)18-5-3-6-20(16-18)25(29)30)9-11-22(17)31-13-2-1-7-21-8-4-14-32-21/h3-6,8-9,11,14-16H,1-2,7,10,12-13H2,(H,26,27)(H,29,30)