3-(4-chloranylphenoxy)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-2-phenyl-propanoic acid

Systemtic Name: 3-(4-chloranylphenoxy)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-2-phenyl-propanoic acid Openeye Name: 3-(4-chlorophenoxy)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-2-phenyl-propanoic acid CAS Name: 3-(4-chlorophenoxy)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-2-phenylpropanoic acid IUPAC Name: 3-(4-chlorophenoxy)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-2-phenylpropanoic acid Traditional Name: 3-(4-chlorophenoxy)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-2-phenyl-propionic acid Formula: C27H27ClO7S MolecularWeight: 531.01708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(C(C2=CC=CC=C2)C(=O)O)OC3=CC=C(C=C3)Cl)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(C(C2=CC=CC=C2)C(=O)O)OC3=CC=C(C=C3)Cl)OC4CCCC4

InChI

InChI=1S/C27H27ClO7S/c1-33-23-16-15-22(17-24(23)34-20-9-5-6-10-20)36(31,32)27(35-21-13-11-19(28)12-14-21)25(26(29)30)18-7-3-2-4-8-18/h2-4,7-8,11-17,20,25,27H,5-6,9-10H2,1H3,(H,29,30)