chromen-4-ylidene(methyl)oxidanium; 2-nitrobenzenesulfonate

Systemtic Name: chromen-4-ylidene(methyl)oxidanium; 2-nitrobenzenesulfonate Openeye Name: chromen-4-ylidene(methyl)oxonium; 2-nitrobenzenesulfonate CAS Name: 1-benzopyran-4-ylidene(methyl)oxonium; 2-nitrobenzenesulfonate IUPAC Name: chromen-4-ylidene(methyl)oxidanium; 2-nitrobenzenesulfonate Traditional Name: chromen-4-ylidene(methyl)oxonium; 2-nitrobesylate Formula: C16H13NO7S MolecularWeight: 363.34192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[O+]=C1C=COC2=CC=CC=C12.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C[O+]=C1C=COC2=CC=CC=C12.C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C10H9O2.C6H5NO5S/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;8-7(9)5-3-1-2-4-6(5)13(10,11)12/h2-7H,1H3;1-4H,(H,10,11,12)/q+1;/p-1