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

Systemtic Name: [(E)-(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(3-bromo-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(E)-(3-bromo-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(3-bromo-5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C16H15BrN2O6S MolecularWeight: 443.2691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)C)Br

Isomeric SMILES

CC\1=C(C(=O)C(=C/C1=N\OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)C)Br

InChI

InChI=1S/C16H15BrN2O6S/c1-9(2)13-8-14(10(3)15(17)16(13)20)18-25-26(23,24)12-6-4-5-11(7-12)19(21)22/h4-9H,1-3H3/b18-14+