actinium; 1-methyl-2-[(4E)-2-methyl-1-oxidanyl-4-phenylmethoxyimino-butyl]-1-azacyclotridecan-3-one

Systemtic Name: actinium; 1-methyl-2-[(4E)-2-methyl-1-oxidanyl-4-phenylmethoxyimino-butyl]-1-azacyclotridecan-3-one Openeye Name: actinium; 2-[(4E)-4-benzyloxyimino-1-hydroxy-2-methyl-butyl]-1-methyl-azacyclotridecan-3-one CAS Name: actinium; 2-[(4E)-1-hydroxy-2-methyl-4-phenylmethoxyiminobutyl]-1-methyl-azacyclotridecan-3-one IUPAC Name: actinium; 2-[(4E)-1-hydroxy-2-methyl-4-phenylmethoxyiminobutyl]-1-methyl-azacyclotridecan-3-one Traditional Name: actinium; 2-[(4E)-4-benzyloximino-1-hydroxy-2-methyl-butyl]-1-methyl-azacyclotridecan-3-one Formula: C25H40AcN2O3 MolecularWeight: 643.624447

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=NOCC1=CC=CC=C1)C(C2C(=O)CCCCCCCCCCN2C)O.[Ac]

Isomeric SMILES

CC(C/C=N/OCC1=CC=CC=C1)C(C2C(=O)CCCCCCCCCCN2C)O.[Ac]

InChI

InChI=1S/C25H40N2O3.Ac/c1-21(17-18-26-30-20-22-14-10-9-11-15-22)25(29)24-23(28)16-12-7-5-3-4-6-8-13-19-27(24)2;/h9-11,14-15,18,21,24-25,29H,3-8,12-13,16-17,19-20H2,1-2H3;/b26-18+;