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

Systemtic Name: 4-[3,5-bis(4-carboxyphenyl)-7-phenyl-1-adamantyl]benzoic acid Openeye Name: 4-[3,5-bis(4-carboxyphenyl)-7-phenyl-1-adamantyl]benzoic acid CAS Name: 4-[3,5-bis(4-carboxyphenyl)-7-phenyl-1-adamantyl]benzoic acid IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)-7-phenyl-1-adamantyl]benzoic acid Traditional Name: 4-[3,5-bis(4-carboxyphenyl)-7-phenyl-1-adamantyl]benzoic acid Formula: C37H32O6 MolecularWeight: 572.64638

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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=CC=C7

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=CC=C7

InChI

InChI=1S/C37H32O6/c38-31(39)24-6-12-28(13-7-24)35-18-34(27-4-2-1-3-5-27)19-36(21-35,29-14-8-25(9-15-29)32(40)41)23-37(20-34,22-35)30-16-10-26(11-17-30)33(42)43/h1-17H,18-23H2,(H,38,39)(H,40,41)(H,42,43)