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

Systemtic Name: 2-phenyl-4-[1,2,2-tris(4-carboxy-3-phenyl-phenyl)ethyl]benzoic acid Openeye Name: 2-phenyl-4-[1,2,2-tris(4-carboxy-3-phenyl-phenyl)ethyl]benzoic acid CAS Name: 2-phenyl-4-[1,2,2-tris(4-carboxy-3-phenylphenyl)ethyl]benzoic acid IUPAC Name: 2-phenyl-4-[1,2,2-tris(4-carboxy-3-phenylphenyl)ethyl]benzoic acid Traditional Name: 2-phenyl-4-[1,2,2-tris(4-carboxy-3-phenyl-phenyl)ethyl]benzoic acid Formula: C54H38O8 MolecularWeight: 814.87472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)C(C3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4)C(C5=CC(=C(C=C5)C(=O)O)C6=CC=CC=C6)C7=CC(=C(C=C7)C(=O)O)C8=CC=CC=C8)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)C(C3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4)C(C5=CC(=C(C=C5)C(=O)O)C6=CC=CC=C6)C7=CC(=C(C=C7)C(=O)O)C8=CC=CC=C8)C(=O)O

InChI

InChI=1S/C54H38O8/c55-51(56)41-25-21-37(29-45(41)33-13-5-1-6-14-33)49(38-22-26-42(52(57)58)46(30-38)34-15-7-2-8-16-34)50(39-23-27-43(53(59)60)47(31-39)35-17-9-3-10-18-35)40-24-28-44(54(61)62)48(32-40)36-19-11-4-12-20-36/h1-32,49-50H,(H,55,56)(H,57,58)(H,59,60)(H,61,62)