2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenyl-phenyl)ethyl]benzoic acid Openeye Name: 2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenyl-phenyl)ethyl]benzoic acid CAS Name: 2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenylphenyl)ethyl]benzoic acid IUPAC Name: 2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenylphenyl)ethyl]benzoic acid Traditional Name: 2-methyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-methyl-5-phenyl-phenyl)ethyl]benzoic acid Formula: C58H46O8 MolecularWeight: 870.98104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC(=C(C(=C2)C3=CC=CC=C3)C(=O)O)C)C(C4=CC(=C(C(=C4)C5=CC=CC=C5)C(=O)O)C)C6=CC(=C(C(=C6)C7=CC=CC=C7)C(=O)O)C)C8=CC=CC=C8)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC(=C(C(=C2)C3=CC=CC=C3)C(=O)O)C)C(C4=CC(=C(C(=C4)C5=CC=CC=C5)C(=O)O)C)C6=CC(=C(C(=C6)C7=CC=CC=C7)C(=O)O)C)C8=CC=CC=C8)C(=O)O

InChI

InChI=1S/C58H46O8/c1-33-25-41(29-45(49(33)55(59)60)37-17-9-5-10-18-37)53(42-26-34(2)50(56(61)62)46(30-42)38-19-11-6-12-20-38)54(43-27-35(3)51(57(63)64)47(31-43)39-21-13-7-14-22-39)44-28-36(4)52(58(65)66)48(32-44)40-23-15-8-16-24-40/h5-32,53-54H,1-4H3,(H,59,60)(H,61,62)(H,63,64)(H,65,66)