3-(1-adamantyl)-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: 3-(1-adamantyl)-5-methoxy-4-oxidanyl-benzoate Openeye Name: 3-(1-adamantyl)-4-hydroxy-5-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-hydroxy-5-methoxybenzoate IUPAC Name: 3-(1-adamantyl)-4-hydroxy-5-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-hydroxy-5-methoxy-benzoate Formula: C18H21O4- MolecularWeight: 301.35694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C23CC4CC(C2)CC(C4)C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)C23CC4CC(C2)CC(C4)C3)C(=O)[O-]

InChI

InChI=1S/C18H22O4/c1-22-15-6-13(17(20)21)5-14(16(15)19)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12,19H,2-4,7-9H2,1H3,(H,20,21)/p-1