4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid

Systemtic Name: 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3,5,7-tris(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3,5,7-tris(4-carbomethoxyphenyl)-1-adamantyl]benzoic acid Formula: C41H38O8 MolecularWeight: 658.73562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C23CC4(CC(C2)(CC(C4)(C3)C5=CC=C(C=C5)C(=O)OC)C6=CC=C(C=C6)C(=O)OC)C7=CC=C(C=C7)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C23CC4(CC(C2)(CC(C4)(C3)C5=CC=C(C=C5)C(=O)OC)C6=CC=C(C=C6)C(=O)OC)C7=CC=C(C=C7)C(=O)O

InChI

InChI=1S/C41H38O8/c1-47-35(44)27-6-14-31(15-7-27)39-20-38(30-12-4-26(5-13-30)34(42)43)21-40(23-39,32-16-8-28(9-17-32)36(45)48-2)25-41(22-38,24-39)33-18-10-29(11-19-33)37(46)49-3/h4-19H,20-25H2,1-3H3,(H,42,43)