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

Systemtic Name: 4-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-3-methoxy-5-methyl-benzoic acid Openeye Name: 4-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]-3-methoxy-5-methyl-benzoic acid CAS Name: 4-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]-3-methoxy-5-methylbenzoic acid IUPAC Name: 4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]-3-methoxy-5-methylbenzoic acid Traditional Name: 4-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]-3-methoxy-5-methyl-benzoic acid Formula: C26H21ClO4S MolecularWeight: 464.96054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)OC)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)OC)C2=C(C=CS2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21ClO4S/c1-16-12-18(26(28)29)13-23(30-2)24(16)25-20(10-11-32-25)21-14-19(27)8-9-22(21)31-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,28,29)