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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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