3-[(2E)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[(2E)-2-(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-[(2E)-2-(3-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-hydroxy-5-nitro-benzenesulfonic acid CAS Name: 3-[(2E)-2-(3-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonic acid IUPAC Name: 3-[(2E)-2-(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonic acid Traditional Name: 3-[(N'E)-N'-(3-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-hydroxy-5-nitro-besylic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O7S/c1-16(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/h4-8,18,21H,1-3H3,(H,24,25,26)/b17-11+