methyl 4-iodanyl-2-isocyanosulfonyl-benzoate

Systemtic Name: methyl 4-iodanyl-2-isocyanosulfonyl-benzoate Openeye Name: methyl 4-iodo-2-isocyanosulfonyl-benzoate CAS Name: 4-iodo-2-isocyanosulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-iodo-2-isocyanosulfonylbenzoate Traditional Name: 4-iodo-2-isocyanosulfonyl-benzoic acid methyl ester Formula: C9H6INO4S MolecularWeight: 351.11771

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)I)S(=O)(=O)[N+]#[C-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)I)S(=O)(=O)[N+]#[C-]

InChI

InChI=1S/C9H6INO4S/c1-11-16(13,14)8-5-6(10)3-4-7(8)9(12)15-2/h3-5H,2H3