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

Systemtic Name: 2-methoxy-6-methyl-4-[1,2,2-tris(4-carboxy-3-methoxy-5-methyl-phenyl)ethyl]benzoic acid Openeye Name: 2-methoxy-6-methyl-4-[1,2,2-tris(4-carboxy-3-methoxy-5-methyl-phenyl)ethyl]benzoic acid CAS Name: 2-methoxy-6-methyl-4-[1,2,2-tris(4-carboxy-3-methoxy-5-methylphenyl)ethyl]benzoic acid IUPAC Name: 2-methoxy-6-methyl-4-[1,2,2-tris(4-carboxy-3-methoxy-5-methylphenyl)ethyl]benzoic acid Traditional Name: 2-methoxy-6-methyl-4-[1,2,2-tris(4-carboxy-3-methoxy-5-methyl-phenyl)ethyl]benzoic acid Formula: C38H38O12 MolecularWeight: 686.70112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H38O12/c1-17-9-21(13-25(47-5)29(17)35(39)40)33(22-10-18(2)30(36(41)42)26(14-22)48-6)34(23-11-19(3)31(37(43)44)27(15-23)49-7)24-12-20(4)32(38(45)46)28(16-24)50-8/h9-16,33-34H,1-8H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)