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

Systemtic Name: 2-[3-(4-chloranylphenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-propanoic acid Openeye Name: 2-[3-(4-chlorophenoxy)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propanoic acid CAS Name: 2-[3-(4-chlorophenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-[3-(4-chlorophenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-[3-(4-chlorophenoxy)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-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)CC(C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)O)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClO7S/c1-33-25-14-13-23(16-26(25)35-20-6-2-3-7-20)36(31,32)17-24(27(29)30)18-5-4-8-22(15-18)34-21-11-9-19(28)10-12-21/h4-5,8-16,20,24H,2-3,6-7,17H2,1H3,(H,29,30)