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

Systemtic Name: 4-[3,5,7-tris(4-carboxyphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3,5,7-tris(4-carboxyphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3,5,7-tris(4-carboxyphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3,5,7-tris(4-carboxyphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3,5,7-tris(4-carboxyphenyl)-1-adamantyl]benzoic acid Formula: C38H32O8 MolecularWeight: 616.65588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C(=O)O

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C(=O)O

InChI

InChI=1S/C38H32O8/c39-31(40)23-1-9-27(10-2-23)35-17-36(28-11-3-24(4-12-28)32(41)42)20-37(18-35,29-13-5-25(6-14-29)33(43)44)22-38(19-35,21-36)30-15-7-26(8-16-30)34(45)46/h1-16H,17-22H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)