3-[3-(4-tert-butylphenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-propanoic acid

Systemtic Name: 3-[3-(4-tert-butylphenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-propanoic acid Openeye Name: 3-[3-(4-tert-butylphenoxy)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propanoic acid CAS Name: 3-[3-(4-tert-butylphenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 3-[3-(4-tert-butylphenoxy)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 3-[3-(4-tert-butylphenoxy)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propionic acid Formula: C31H36O7S MolecularWeight: 552.67834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C31H36O7S/c1-31(2,3)22-12-14-24(15-13-22)37-25-11-7-8-21(18-25)29(20-30(32)33)39(34,35)26-16-17-27(36-4)28(19-26)38-23-9-5-6-10-23/h7-8,11-19,23,29H,5-6,9-10,20H2,1-4H3,(H,32,33)