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

Systemtic Name: [1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] pyrrolidine-1-carbodithioate Openeye Name: [2-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-1-methyl-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic 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] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(6-bromo-3-butyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H26BrNO4S2 MolecularWeight: 512.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N3CCCC3)O)Br)C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N3CCCC3)O)Br)C

InChI

InChI=1S/C22H26BrNO4S2/c1-4-5-8-14-12(2)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(3)30-22(29)24-9-6-7-10-24/h11,13,26H,4-10H2,1-3H3