sodium 2-[[2-ethyl-6,9-dimethyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonyl]cyclohexane-1,3-dione

Systemtic Name: sodium 2-[[2-ethyl-6,9-dimethyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonyl]cyclohexane-1,3-dione Openeye Name: sodium 2-(2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl)cyclohexane-1,3-dione CAS Name: sodium 2-[(2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-8-yl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: sodium 2-(2-ethyl-6,9-dimethyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl)cyclohexane-1,3-dione Traditional Name: sodium 2-(2-ethyl-5,5-diketo-6,9-dimethyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl)cyclohexane-1,3-quinone Formula: C21H22N2NaO5S+ MolecularWeight: 437.46455

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2CS(=O)(=O)C3=C(C=C(C(=C3C2=N1)C)C(=O)C4C(=O)CCCC4=O)C.[Na+]

Isomeric SMILES

CCN1C=C2CS(=O)(=O)C3=C(C=C(C(=C3C2=N1)C)C(=O)C4C(=O)CCCC4=O)C.[Na+]

InChI

InChI=1S/C21H22N2O5S.Na/c1-4-23-9-13-10-29(27,28)21-11(2)8-14(12(3)17(21)19(13)22-23)20(26)18-15(24)6-5-7-16(18)25;/h8-9,18H,4-7,10H2,1-3H3;/q;+1