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

Systemtic Name: 2,6-dimethoxy-4-[1,2,2-tris(4-carboxy-3,5-dimethoxy-phenyl)ethyl]benzoic acid Openeye Name: 2,6-dimethoxy-4-[1,2,2-tris(4-carboxy-3,5-dimethoxy-phenyl)ethyl]benzoic acid CAS Name: 2,6-dimethoxy-4-[1,2,2-tris(4-carboxy-3,5-dimethoxyphenyl)ethyl]benzoic acid IUPAC Name: 2,6-dimethoxy-4-[1,2,2-tris(4-carboxy-3,5-dimethoxyphenyl)ethyl]benzoic acid Traditional Name: 2,6-dimethoxy-4-[1,2,2-tris(4-carboxy-3,5-dimethoxy-phenyl)ethyl]benzoic acid Formula: C38H38O16 MolecularWeight: 750.69872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=O)O)OC)C(C2=CC(=C(C(=C2)OC)C(=O)O)OC)C(C3=CC(=C(C(=C3)OC)C(=O)O)OC)C4=CC(=C(C(=C4)OC)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1C(=O)O)OC)C(C2=CC(=C(C(=C2)OC)C(=O)O)OC)C(C3=CC(=C(C(=C3)OC)C(=O)O)OC)C4=CC(=C(C(=C4)OC)C(=O)O)OC

InChI

InChI=1S/C38H38O16/c1-47-21-9-17(10-22(48-2)31(21)35(39)40)29(18-11-23(49-3)32(36(41)42)24(12-18)50-4)30(19-13-25(51-5)33(37(43)44)26(14-19)52-6)20-15-27(53-7)34(38(45)46)28(16-20)54-8/h9-16,29-30H,1-8H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)