actinium; 2-methylpropyl 8-(hydroxymethyl)-3,6-dimethyl-4-oxidanylidene-quinoline-1-carboxylate

Systemtic Name: actinium; 2-methylpropyl 8-(hydroxymethyl)-3,6-dimethyl-4-oxidanylidene-quinoline-1-carboxylate Openeye Name: actinium; isobutyl 8-(hydroxymethyl)-3,6-dimethyl-4-oxo-quinoline-1-carboxylate CAS Name: actinium; 8-(hydroxymethyl)-3,6-dimethyl-4-oxo-1-quinolinecarboxylic acid 2-methylpropyl ester IUPAC Name: actinium; 2-methylpropyl 8-(hydroxymethyl)-3,6-dimethyl-4-oxoquinoline-1-carboxylate Traditional Name: actinium; 4-keto-3,6-dimethyl-8-methylol-quinoline-1-carboxylic acid isobutyl ester Formula: C17H21AcNO4 MolecularWeight: 530.380687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=CN2C(=O)OCC(C)C)C)CO.[Ac]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=CN2C(=O)OCC(C)C)C)CO.[Ac]

InChI

InChI=1S/C17H21NO4.Ac/c1-10(2)9-22-17(21)18-7-12(4)16(20)14-6-11(3)5-13(8-19)15(14)18;/h5-7,10,19H,8-9H2,1-4H3;