methanesulfonic acid; 3-nitro-5-[oxidanyl(1H-pyridin-4-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: methanesulfonic acid; 3-nitro-5-[oxidanyl(1H-pyridin-4-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-[hydroxy(1H-pyridin-4-ylidene)methyl]-3-nitro-1,2-benzoquinone; methanesulfonic acid CAS Name: 5-[hydroxy(1H-pyridin-4-ylidene)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione; methanesulfonic acid IUPAC Name: 5-[hydroxy(1H-pyridin-4-ylidene)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione; methanesulfonic acid Traditional Name: 5-[hydroxy(1H-pyridin-4-ylidene)methyl]-3-nitro-o-benzoquinone; mesylic acid Formula: C13H12N2O8S MolecularWeight: 356.30798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CNC=CC1=C(C2=CC(=O)C(=O)C(=C2)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)O.C1=CNC=CC1=C(C2=CC(=O)C(=O)C(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H8N2O5.CH4O3S/c15-10-6-8(5-9(12(10)17)14(18)19)11(16)7-1-3-13-4-2-7;1-5(2,3)4/h1-6,13,16H;1H3,(H,2,3,4)