[[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 3-nitrobenzenesulfonate

Systemtic Name: [[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 3-nitrobenzenesulfonate Openeye Name: [(3,5-diisopropyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[4-oxo-3,5-di(propan-2-yl)-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(3,5-diisopropyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C=C(C1=O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C=C(C1=O)C(C)C

InChI

InChI=1S/C18H20N2O6S/c1-11(2)16-8-13(9-17(12(3)4)18(16)21)19-26-27(24,25)15-7-5-6-14(10-15)20(22)23/h5-12H,1-4H3