[1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] N,N-dimethylcarbamodithioate

Systemtic Name: [1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] N,N-dimethylcarbamodithioate Openeye Name: [2-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-1-methyl-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-(6-bromo-3-butyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H24BrNO4S2 MolecularWeight: 486.44286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N(C)C)O)Br)C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N(C)C)O)Br)C

InChI

InChI=1S/C20H24BrNO4S2/c1-6-7-8-12-10(2)13-9-14(21)17(24)15(18(13)26-19(12)25)16(23)11(3)28-20(27)22(4)5/h9,11,24H,6-8H2,1-5H3