2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid Openeye Name: 2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid CAS Name: 2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethylphenyl)ethyl]benzoic acid IUPAC Name: 2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethylphenyl)ethyl]benzoic acid Traditional Name: 2,6-dimethyl-4-[2,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid Formula: C38H38O8 MolecularWeight: 622.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)CC(C2=CC(=C(C(=C2)C)C(=O)O)C)(C3=CC(=C(C(=C3)C)C(=O)O)C)C4=CC(=C(C(=C4)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)CC(C2=CC(=C(C(=C2)C)C(=O)O)C)(C3=CC(=C(C(=C3)C)C(=O)O)C)C4=CC(=C(C(=C4)C)C(=O)O)C

InChI

InChI=1S/C38H38O8/c1-18-9-26(10-19(2)30(18)34(39)40)17-38(27-11-20(3)31(35(41)42)21(4)12-27,28-13-22(5)32(36(43)44)23(6)14-28)29-15-24(7)33(37(45)46)25(8)16-29/h9-16H,17H2,1-8H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)