5-(1-adamantyl)-4-methoxy-2-oxidanyl-benzoate

Systemtic Name: 5-(1-adamantyl)-4-methoxy-2-oxidanyl-benzoate Openeye Name: 5-(1-adamantyl)-2-hydroxy-4-methoxy-benzoate CAS Name: 5-(1-adamantyl)-2-hydroxy-4-methoxybenzoate IUPAC Name: 5-(1-adamantyl)-2-hydroxy-4-methoxybenzoate Traditional Name: 5-(1-adamantyl)-2-hydroxy-4-methoxy-benzoate Formula: C18H21O4- MolecularWeight: 301.35694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22O4/c1-22-16-6-15(19)13(17(20)21)5-14(16)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