4-[4-[2-[4-(4-carboxyphenoxy)-3-methyl-phenyl]propan-2-yl]-2-methyl-phenoxy]benzoic acid

Systemtic Name: 4-[4-[2-[4-(4-carboxyphenoxy)-3-methyl-phenyl]propan-2-yl]-2-methyl-phenoxy]benzoic acid Openeye Name: 4-[4-[1-[4-(4-carboxyphenoxy)-3-methyl-phenyl]-1-methyl-ethyl]-2-methyl-phenoxy]benzoic acid CAS Name: 4-[4-[2-[4-(4-carboxyphenoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]benzoic acid IUPAC Name: 4-[4-[2-[4-(4-carboxyphenoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]benzoic acid Traditional Name: 4-[4-[1-[4-(4-carboxyphenoxy)-3-methyl-phenyl]-1-methyl-ethyl]-2-methyl-phenoxy]benzoic acid Formula: C31H28O6 MolecularWeight: 496.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)C)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)C)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H28O6/c1-19-17-23(9-15-27(19)36-25-11-5-21(6-12-25)29(32)33)31(3,4)24-10-16-28(20(2)18-24)37-26-13-7-22(8-14-26)30(34)35/h5-18H,1-4H3,(H,32,33)(H,34,35)