[2,6-bis(oxidanylidene)cyclohexylidene]-(4-methylsulfonyl-2-nitro-phenyl)methanolate

Systemtic Name: [2,6-bis(oxidanylidene)cyclohexylidene]-(4-methylsulfonyl-2-nitro-phenyl)methanolate Openeye Name: (2,6-dioxocyclohexylidene)-(4-methylsulfonyl-2-nitro-phenyl)methanolate CAS Name: (2,6-dioxocyclohexylidene)-(4-methylsulfonyl-2-nitrophenyl)methanolate IUPAC Name: (2,6-dioxocyclohexylidene)-(4-methylsulfonyl-2-nitrophenyl)methanolate Traditional Name: (2,6-diketocyclohexylidene)-(4-mesyl-2-nitro-phenyl)methanolate Formula: C14H12NO7S- MolecularWeight: 338.31258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=C2C(=O)CCCC2=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=C2C(=O)CCCC2=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3/p-1