4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-oxo-butanoate CAS Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-oxobutanoate IUPAC Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-oxobutanoate Traditional Name: 4-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-keto-butyrate Formula: C16H23O3- MolecularWeight: 263.35202

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)CCC(=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C16H24O3/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)12(17)3-4-13(18)19/h11H,3-10H2,1-2H3,(H,18,19)/p-1/t11?,14-,15+,16?