2-isocyanatosulfonyl-4-nitro-benzoate

Systemtic Name: 2-isocyanatosulfonyl-4-nitro-benzoate Openeye Name: 2-isocyanatosulfonyl-4-nitro-benzoate CAS Name: 2-isocyanatosulfonyl-4-nitrobenzoate IUPAC Name: 2-isocyanatosulfonyl-4-nitrobenzoate Traditional Name: 2-isocyanatosulfonyl-4-nitro-benzoate Formula: C8H3N2O7S- MolecularWeight: 271.18362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2O7S/c11-4-9-18(16,17)7-3-5(10(14)15)1-2-6(7)8(12)13/h1-3H,(H,12,13)/p-1