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

Systemtic Name: 3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-4-methoxy-benzoic acid Openeye Name: 3-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]-4-methoxy-benzoic acid CAS Name: 3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]-4-methoxybenzoic acid IUPAC Name: 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-4-methoxybenzoic acid Traditional Name: 3-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]-4-methoxy-benzoic acid Formula: C25H19ClO4S MolecularWeight: 450.93396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H19ClO4S/c1-29-22-9-7-17(25(27)28)13-21(22)24-19(11-12-31-24)20-14-18(26)8-10-23(20)30-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,27,28)