2,6-dimethyl-4-[1,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2,6-dimethyl-4-[1,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid Openeye Name: 2,6-dimethyl-4-[1,2,2-tris(4-carboxy-3,5-dimethyl-phenyl)ethyl]benzoic acid CAS Name: 2,6-dimethyl-4-[1,2,2-tris(4-carboxy-3,5-dimethylphenyl)ethyl]benzoic acid IUPAC Name: 2,6-dimethyl-4-[1,2,2-tris(4-carboxy-3,5-dimethylphenyl)ethyl]benzoic acid Traditional Name: 2,6-dimethyl-4-[1,2,2-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)C(C2=CC(=C(C(=C2)C)C(=O)O)C)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)C(C2=CC(=C(C(=C2)C)C(=O)O)C)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/c1-17-9-25(10-18(2)29(17)35(39)40)33(26-11-19(3)30(36(41)42)20(4)12-26)34(27-13-21(5)31(37(43)44)22(6)14-27)28-15-23(7)32(38(45)46)24(8)16-28/h9-16,33-34H,1-8H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)