methyl 4-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carbodithioate hydrochloride

Systemtic Name: methyl 4-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-8-yl]methyl]piperazine-1-carbodithioate hydrochloride Openeye Name: methyl 4-[(6,7-dihydroxy-2-oxo-chromen-8-yl)methyl]piperazine-1-carbodithioate hydrochloride CAS Name: 4-[(6,7-dihydroxy-2-oxo-1-benzopyran-8-yl)methyl]-1-piperazinecarbodithioic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(6,7-dihydroxy-2-oxochromen-8-yl)methyl]piperazine-1-carbodithioate hydrochloride Traditional Name: 4-[(6,7-dihydroxy-2-keto-chromen-8-yl)methyl]piperazine-1-carbodithioic acid methyl ester hydrochloride Formula: C16H19ClN2O4S2 MolecularWeight: 402.91606

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CCN(CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.Cl

Isomeric SMILES

CSC(=S)N1CCN(CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.Cl

InChI

InChI=1S/C16H18N2O4S2.ClH/c1-24-16(23)18-6-4-17(5-7-18)9-11-14(21)12(19)8-10-2-3-13(20)22-15(10)11;/h2-3,8,19,21H,4-7,9H2,1H3;1H