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

Systemtic Name: [1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] morpholine-4-carbodithioate Openeye Name: [2-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-1-methyl-2-oxo-ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic 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] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-(6-bromo-3-butyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO5S2 MolecularWeight: 528.47954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N3CCOCC3)O)Br)C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N3CCOCC3)O)Br)C

InChI

InChI=1S/C22H26BrNO5S2/c1-4-5-6-14-12(2)15-11-16(23)19(26)17(20(15)29-21(14)27)18(25)13(3)31-22(30)24-7-9-28-10-8-24/h11,13,26H,4-10H2,1-3H3