4-[[2-[2-(4-carboxyphenyl)thiophen-3-yl]-4-chloranyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-(4-carboxyphenyl)thiophen-3-yl]-4-chloranyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-(4-carboxyphenyl)-3-thienyl]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-(4-carboxyphenyl)-3-thiophenyl]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[2-(4-carboxyphenyl)thiophen-3-yl]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-(4-carboxyphenyl)-3-thienyl]-4-chloro-phenoxy]methyl]benzoic acid Formula: C25H17ClO5S MolecularWeight: 464.91748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C25H17ClO5S/c26-19-9-10-22(31-14-15-1-3-17(4-2-15)24(27)28)21(13-19)20-11-12-32-23(20)16-5-7-18(8-6-16)25(29)30/h1-13H,14H2,(H,27,28)(H,29,30)