[5-(1-adamantyl)-2-methyl-3-oxidanylidene-pentan-2-yl]phosphonic acid

Systemtic Name: [5-(1-adamantyl)-2-methyl-3-oxidanylidene-pentan-2-yl]phosphonic acid Openeye Name: [4-(1-adamantyl)-1,1-dimethyl-2-oxo-butyl]phosphonic acid CAS Name: [5-(1-adamantyl)-2-methyl-3-oxopentan-2-yl]phosphonic acid IUPAC Name: [5-(1-adamantyl)-2-methyl-3-oxopentan-2-yl]phosphonic acid Traditional Name: [4-(1-adamantyl)-2-keto-1,1-dimethyl-butyl]phosphonic acid Formula: C16H27O4P MolecularWeight: 314.356941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CCC12CC3CC(C1)CC(C3)C2)P(=O)(O)O

Isomeric SMILES

CC(C)(C(=O)CCC12CC3CC(C1)CC(C3)C2)P(=O)(O)O

InChI

InChI=1S/C16H27O4P/c1-15(2,21(18,19)20)14(17)3-4-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3,(H2,18,19,20)