3-(2-iodanylethanoylamino)-4-sulfinooxy-benzenesulfonic acid

Systemtic Name: 3-(2-iodanylethanoylamino)-4-sulfinooxy-benzenesulfonic acid Openeye Name: 3-[(2-iodoacetyl)amino]-4-sulfinooxy-benzenesulfonic acid CAS Name: 3-[(2-iodo-1-oxoethyl)amino]-4-sulfinooxybenzenesulfonic acid IUPAC Name: 3-[(2-iodoacetyl)amino]-4-sulfinooxybenzenesulfonic acid Traditional Name: 3-[(2-iodoacetyl)amino]-4-sulfinooxy-besylic acid Formula: C8H8INO7S2 MolecularWeight: 421.18609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)NC(=O)CI)OS(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)NC(=O)CI)OS(=O)O

InChI

InChI=1S/C8H8INO7S2/c9-4-8(11)10-6-3-5(19(14,15)16)1-2-7(6)17-18(12)13/h1-3H,4H2,(H,10,11)(H,12,13)(H,14,15,16)