3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-oxidanyl-adamantane-1-carboxylic acid

Systemtic Name: 3-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-oxidanyl-adamantane-1-carboxylic acid Openeye Name: 3-hydroxy-5-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]adamantane-1-carboxylic acid CAS Name: 3-hydroxy-5-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-1-adamantanecarboxylic acid IUPAC Name: 3-hydroxy-5-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]adamantane-1-carboxylic acid Traditional Name: 3-hydroxy-5-[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]adamantane-1-carboxylic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC12CC3CC(C1)(CC(C3)(C2)O)C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C12CC3CC(C1)(CC(C3)(C2)O)C(=O)O)/C(=O)O

InChI

InChI=1S/C15H20O5/c1-9(11(16)17)2-13-3-10-4-14(6-13,12(18)19)8-15(20,5-10)7-13/h2,10,20H,3-8H2,1H3,(H,16,17)(H,18,19)/b9-2+