3-[3-[2-[(4-carboxyphenyl)methoxy]-5-chloranyl-phenyl]thiophen-2-yl]benzoic acid

Systemtic Name: 3-[3-[2-[(4-carboxyphenyl)methoxy]-5-chloranyl-phenyl]thiophen-2-yl]benzoic acid Openeye Name: 3-[3-[2-[(4-carboxyphenyl)methoxy]-5-chloro-phenyl]-2-thienyl]benzoic acid CAS Name: 3-[3-[2-[(4-carboxyphenyl)methoxy]-5-chlorophenyl]-2-thiophenyl]benzoic acid IUPAC Name: 3-[3-[2-[(4-carboxyphenyl)methoxy]-5-chlorophenyl]thiophen-2-yl]benzoic acid Traditional Name: 3-[3-[2-(4-carboxybenzyl)oxy-5-chloro-phenyl]-2-thienyl]benzoic acid Formula: C25H17ClO5S MolecularWeight: 464.91748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O

InChI

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