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

Systemtic Name: 4-[3,5-bis(4-carboxyphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3,5-bis(4-carboxyphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3,5-bis(4-carboxyphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3,5-bis(4-carboxyphenyl)-1-adamantyl]benzoic acid Formula: C31H28O6 MolecularWeight: 496.55042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(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

Isomeric SMILES

C1C2CC3(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

InChI

InChI=1S/C31H28O6/c32-26(33)20-1-7-23(8-2-20)29-13-19-14-30(16-29,24-9-3-21(4-10-24)27(34)35)18-31(15-19,17-29)25-11-5-22(6-12-25)28(36)37/h1-12,19H,13-18H2,(H,32,33)(H,34,35)(H,36,37)