methoxybenzene; [2-(oxidanylcarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid

Systemtic Name: methoxybenzene; [2-(oxidanylcarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Openeye Name: anisole; [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid CAS Name: [2-[(hydroxyamino)-oxomethyl]-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid; methoxybenzene IUPAC Name: anisole; [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Traditional Name: anisole; [2-(hydroxycarbamoyl)-1-sulfonyl-2,3,4,7-tetrahydroazepin-1-ium-3-yl]carbamic acid Formula: C15H20N3O7S+ MolecularWeight: 386.4002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1C=CC[N+](=S(=O)=O)C(C1NC(=O)O)C(=O)NO

Isomeric SMILES

COC1=CC=CC=C1.C1C=CC[N+](=S(=O)=O)C(C1NC(=O)O)C(=O)NO

InChI

InChI=1S/C8H11N3O6S.C7H8O/c12-7(10-15)6-5(9-8(13)14)3-1-2-4-11(6)18(16)17;1-8-7-5-3-2-4-6-7/h1-2,5-6,9H,3-4H2,(H2-,10,12,13,14,15);2-6H,1H3/p+1