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

Systemtic Name: 3-(4-tert-butylphenoxy)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-2-phenyl-propanoic acid Openeye Name: 3-(4-tert-butylphenoxy)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-2-phenyl-propanoic acid CAS Name: 3-(4-tert-butylphenoxy)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-2-phenylpropanoic acid IUPAC Name: 3-(4-tert-butylphenoxy)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-2-phenylpropanoic acid Traditional Name: 3-(4-tert-butylphenoxy)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-2-phenyl-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)OC(C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C31H36O7S/c1-31(2,3)22-14-16-24(17-15-22)38-30(28(29(32)33)21-10-6-5-7-11-21)39(34,35)25-18-19-26(36-4)27(20-25)37-23-12-8-9-13-23/h5-7,10-11,14-20,23,28,30H,8-9,12-13H2,1-4H3,(H,32,33)