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

Systemtic Name: 4-[3,5-bis(4-carboxyphenyl)-7-methyl-1-adamantyl]benzoic acid Openeye Name: 4-[3,5-bis(4-carboxyphenyl)-7-methyl-1-adamantyl]benzoic acid CAS Name: 4-[3,5-bis(4-carboxyphenyl)-7-methyl-1-adamantyl]benzoic acid IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)-7-methyl-1-adamantyl]benzoic acid Traditional Name: 4-[3,5-bis(4-carboxyphenyl)-7-methyl-1-adamantyl]benzoic acid Formula: C32H30O6 MolecularWeight: 510.577

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(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

CC12CC3(CC(C1)(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/C32H30O6/c1-29-14-30(23-8-2-20(3-9-23)26(33)34)17-31(15-29,24-10-4-21(5-11-24)27(35)36)19-32(16-29,18-30)25-12-6-22(7-13-25)28(37)38/h2-13H,14-19H2,1H3,(H,33,34)(H,35,36)(H,37,38)