9-nitro-10,10-bis(oxidanylidene)phenoxathiine-4-carboxylic acid

Systemtic Name: 9-nitro-10,10-bis(oxidanylidene)phenoxathiine-4-carboxylic acid Openeye Name: 9-nitro-10,10-dioxo-phenoxathiine-4-carboxylic acid CAS Name: 9-nitro-10,10-dioxo-4-phenoxathiinecarboxylic acid IUPAC Name: 9-nitro-10,10-dioxophenoxathiine-4-carboxylic acid Traditional Name: 10,10-diketo-9-nitro-phenoxathiine-4-carboxylic acid Formula: C13H7NO7S MolecularWeight: 321.26218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)C3=C(C=CC=C3O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)C3=C(C=CC=C3O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H7NO7S/c15-13(16)7-3-1-6-10-11(7)21-9-5-2-4-8(14(17)18)12(9)22(10,19)20/h1-6H,(H,15,16)