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

Systemtic Name: [[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 4-bromanylbenzenesulfonate Openeye Name: [(3,5-diisopropyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic 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] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(3,5-diisopropyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)Br)C=C(C1=O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)Br)C=C(C1=O)C(C)C

InChI

InChI=1S/C18H20BrNO4S/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)20-24-25(22,23)15-7-5-13(19)6-8-15/h5-12H,1-4H3