(5S,7R)-3-(4-hydroxyphenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-hydroxyphenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-hydroxyphenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-hydroxyphenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-hydroxyphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-hydroxyphenyl)adamantane-1-carboxylate Formula: C17H19O3- MolecularWeight: 271.33096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)[O-])C4=CC=C(C=C4)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)[O-])C4=CC=C(C=C4)O

InChI

InChI=1S/C17H20O3/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12,18H,5-10H2,(H,19,20)/p-1/t11-,12+,16?,17?