(2R)-2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: (2R)-2-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]phenyl]cyclopropane-1-carboxylic acid Openeye Name: (2R)-2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]cyclopropanecarboxylic acid CAS Name: (2R)-2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: (2R)-2-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]cyclopropane-1-carboxylic acid Traditional Name: (2R)-2-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]phenyl]cyclopropanecarboxylic acid Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C6CC6C(=O)O)O

Isomeric SMILES

C1[C@H](C1C(=O)O)C2=CC=C(C=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28O3/c27-24-6-5-20(18-1-3-19(4-2-18)21-11-22(21)25(28)29)10-23(24)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10,15-17,21-22,27H,7-9,11-14H2,(H,28,29)/t15?,16?,17?,21-,22?,26?/m0/s1