3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid

Systemtic Name: 3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Openeye Name: 3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid CAS Name: 3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid IUPAC Name: 3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Traditional Name: 3-[1,2,2-tris(3-carboxyphenyl)ethyl]benzoic acid Formula: C30H22O8 MolecularWeight: 510.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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