5-(1-adamantyl)-2-methyl-furan-3-carboxylate

Systemtic Name: 5-(1-adamantyl)-2-methyl-furan-3-carboxylate Openeye Name: 5-(1-adamantyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(1-adamantyl)-2-methyl-3-furancarboxylate IUPAC Name: 5-(1-adamantyl)-2-methylfuran-3-carboxylate Traditional Name: 5-(1-adamantyl)-2-methyl-3-furoate Formula: C16H19O3- MolecularWeight: 259.32026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C23CC4CC(C2)CC(C4)C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C23CC4CC(C2)CC(C4)C3)C(=O)[O-]

InChI

InChI=1S/C16H20O3/c1-9-13(15(17)18)5-14(19-9)16-6-10-2-11(7-16)4-12(3-10)8-16/h5,10-12H,2-4,6-8H2,1H3,(H,17,18)/p-1