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

Systemtic Name: 3-methoxycarbonyl-5-[(E)-2-methyl-3-oxidanyl-3-oxidanylidene-prop-1-enyl]adamantane-1-carboxylic acid Openeye Name: 3-[(E)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]-5-methoxycarbonyl-adamantane-1-carboxylic acid CAS Name: 3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-5-methoxycarbonyl-1-adamantanecarboxylic acid IUPAC Name: 3-[(E)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-5-methoxycarbonyladamantane-1-carboxylic acid Traditional Name: 3-carbomethoxy-5-[(E)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]adamantane-1-carboxylic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6/c1-10(12(18)19)3-15-4-11-5-16(7-15,13(20)21)9-17(6-11,8-15)14(22)23-2/h3,11H,4-9H2,1-2H3,(H,18,19)(H,20,21)/b10-3+