dipotassium 3-[(2Z)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate

Systemtic Name: dipotassium 3-[(2Z)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate Openeye Name: dipotassium 3-[(2Z)-2-(3-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-hydroxy-5-nitro-benzenesulfonate CAS Name: dipotassium 3-[(2Z)-2-(3-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate IUPAC Name: dipotassium 3-[(2Z)-2-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate Traditional Name: dipotassium 3-[(N'Z)-N'-(3-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-hydroxy-5-nitro-besylate Formula: C32H32K2N6O14S2 MolecularWeight: 866.95488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NNC2=CC(=CC(=C2O)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)C=C1.CC(C)(C)C1=CC(=NNC2=CC(=CC(=C2O)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)C=C1.[K+].[K+]

Isomeric SMILES

CC(C1=C/C(=N/NC2=CC(=CC(=C2O)S(=O)(=O)[O-])[N+](=O)[O-])/C(=O)C=C1)(C)C.CC(C1=C/C(=N/NC2=CC(=CC(=C2O)S(=O)(=O)[O-])[N+](=O)[O-])/C(=O)C=C1)(C)C.[K+].[K+]

InChI

InChI=1S/2C16H17N3O7S.2K/c2*1-16(2,3)9-4-5-13(20)11(6-9)17-18-12-7-10(19(22)23)8-14(15(12)21)27(24,25)26;;/h2*4-8,18,21H,1-3H3,(H,24,25,26);;/q;;2*+1/p-2/b2*17-11-;;