tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid

Systemtic Name: tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid Openeye Name: tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid CAS Name: tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid IUPAC Name: tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid Traditional Name: tetrapotassium 4-[2,2,2-tris(4-carboxyphenyl)ethyl]benzoic acid Formula: C30H22K4O8+4 MolecularWeight: 666.88408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C2=CC=C(C=C2)C(=O)O)(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O.[K+].[K+].[K+].[K+]

Isomeric SMILES

C1=CC(=CC=C1CC(C2=CC=C(C=C2)C(=O)O)(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O.[K+].[K+].[K+].[K+]

InChI

InChI=1S/C30H22O8.4K/c31-26(32)19-3-1-18(2-4-19)17-30(23-11-5-20(6-12-23)27(33)34,24-13-7-21(8-14-24)28(35)36)25-15-9-22(10-16-25)29(37)38;;;;/h1-16H,17H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38);;;;/q;4*+1