3-(4-chloranylbutyl)-1-methyl-2-oxidanylidene-1,3,2-benzodiazaphosphinin-2-ium-4-one

Systemtic Name: 3-(4-chloranylbutyl)-1-methyl-2-oxidanylidene-1,3,2-benzodiazaphosphinin-2-ium-4-one Openeye Name: 3-(4-chlorobutyl)-1-methyl-2-oxo-1,3,2-benzodiazaphosphinin-2-ium-4-one CAS Name: 3-(4-chlorobutyl)-1-methyl-2-oxo-1,3,2-benzodiazaphosphorin-2-ium-4-one IUPAC Name: 3-(4-chlorobutyl)-1-methyl-2-oxo-1,3,2-benzodiazaphosphinin-2-ium-4-one Traditional Name: 3-(4-chlorobutyl)-2-keto-1-methyl-1,3,2-benzodiazaphosphorin-2-ium-4-one Formula: C12H15ClN2O2P+ MolecularWeight: 285.686461

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N([P+]1=O)CCCCCl

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N([P+]1=O)CCCCCl

InChI

InChI=1S/C12H15ClN2O2P/c1-14-11-7-3-2-6-10(11)12(16)15(18(14)17)9-5-4-8-13/h2-3,6-7H,4-5,8-9H2,1H3/q+1