5-(1-adamantyl)-2-oxidanyl-benzoate

Systemtic Name: 5-(1-adamantyl)-2-oxidanyl-benzoate Openeye Name: 5-(1-adamantyl)-2-hydroxy-benzoate CAS Name: 5-(1-adamantyl)-2-hydroxybenzoate IUPAC Name: 5-(1-adamantyl)-2-hydroxybenzoate Traditional Name: 5-(1-adamantyl)-2-hydroxy-benzoate Formula: C17H19O3- MolecularWeight: 271.33096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)O)C(=O)[O-]

InChI

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