4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzenesulfonic acid Openeye Name: 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzenesulfonic acid CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)benzenesulfonic acid IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzenesulfonic acid Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)besylic acid Formula: C14H8N2O7S MolecularWeight: 348.28752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H8N2O7S/c17-13-11-6-3-9(16(19)20)7-12(11)14(18)15(13)8-1-4-10(5-2-8)24(21,22)23/h1-7H,(H,21,22,23)