tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid

Systemtic Name: tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Openeye Name: tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid CAS Name: tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid IUPAC Name: tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Traditional Name: tetrasodium 3-[2,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Formula: C30H22Na4O8+4 MolecularWeight: 602.44996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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