3-(1-adamantyl)-4-oxidanyl-benzoate

Systemtic Name: 3-(1-adamantyl)-4-oxidanyl-benzoate Openeye Name: 3-(1-adamantyl)-4-hydroxy-benzoate CAS Name: 3-(1-adamantyl)-4-hydroxybenzoate IUPAC Name: 3-(1-adamantyl)-4-hydroxybenzoate Traditional Name: 3-(1-adamantyl)-4-hydroxy-benzoate Formula: C17H19O3- MolecularWeight: 271.33096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3/c18-15-2-1-13(16(19)20)6-14(15)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