[[4-(phenylsulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [[4-(phenylsulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate Openeye Name: [[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [[4-(benzenesulfonyloxyimino)-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(4-besyloximinocyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON=C2C=CC(=NOS(=O)(=O)C3=CC=CC=C3)C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON=C2C=CC(=NOS(=O)(=O)C3=CC=CC=C3)C=C2)C

InChI

InChI=1S/C21H20N2O6S2/c1-15-13-16(2)21(17(3)14-15)31(26,27)29-23-19-11-9-18(10-12-19)22-28-30(24,25)20-7-5-4-6-8-20/h4-14H,1-3H3