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

Systemtic Name: 2-methoxy-4-[1,2,2-tris(4-carboxy-3-methoxy-phenyl)ethyl]benzoic acid Openeye Name: 2-methoxy-4-[1,2,2-tris(4-carboxy-3-methoxy-phenyl)ethyl]benzoic acid CAS Name: 2-methoxy-4-[1,2,2-tris(4-carboxy-3-methoxyphenyl)ethyl]benzoic acid IUPAC Name: 2-methoxy-4-[1,2,2-tris(4-carboxy-3-methoxyphenyl)ethyl]benzoic acid Traditional Name: 2-methoxy-4-[1,2,2-tris(4-carboxy-3-methoxy-phenyl)ethyl]benzoic acid Formula: C34H30O12 MolecularWeight: 630.5948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)C(=O)O)OC)C(C3=CC(=C(C=C3)C(=O)O)OC)C4=CC(=C(C=C4)C(=O)O)OC)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)C(=O)O)OC)C(C3=CC(=C(C=C3)C(=O)O)OC)C4=CC(=C(C=C4)C(=O)O)OC)C(=O)O

InChI

InChI=1S/C34H30O12/c1-43-25-13-17(5-9-21(25)31(35)36)29(18-6-10-22(32(37)38)26(14-18)44-2)30(19-7-11-23(33(39)40)27(15-19)45-3)20-8-12-24(34(41)42)28(16-20)46-4/h5-16,29-30H,1-4H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)