[(3S)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-4-oxidanylidene-2H-chromen-3-yl]methyl-diethyl-azanium

Systemtic Name: [(3S)-6,8-bis(bromanyl)-3-(4-methylphenyl)sulfanyl-4-oxidanylidene-2H-chromen-3-yl]methyl-diethyl-azanium Openeye Name: [(3S)-6,8-dibromo-4-oxo-3-(p-tolylsulfanyl)chroman-3-yl]methyl-diethyl-ammonium CAS Name: [(3S)-6,8-dibromo-3-[(4-methylphenyl)thio]-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]methyl-diethylammonium IUPAC Name: [(3S)-6,8-dibromo-3-(4-methylphenyl)sulfanyl-4-oxo-2H-chromen-3-yl]methyl-diethylazanium Traditional Name: [(3S)-6,8-dibromo-4-keto-3-(p-tolylthio)chroman-3-yl]methyl-diethyl-ammonium Formula: C21H24Br2NO2S+ MolecularWeight: 514.29376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1(COC2=C(C=C(C=C2C1=O)Br)Br)SC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)C[C@@]1(COC2=C(C=C(C=C2C1=O)Br)Br)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23Br2NO2S/c1-4-24(5-2)12-21(27-16-8-6-14(3)7-9-16)13-26-19-17(20(21)25)10-15(22)11-18(19)23/h6-11H,4-5,12-13H2,1-3H3/p+1/t21-/m0/s1