ethanol; hydrogen peroxide; 5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonic acid

Systemtic Name: ethanol; hydrogen peroxide; 5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonic acid Openeye Name: ethanol; hydrogen peroxide; 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid CAS Name: ethanol; hydrogen peroxide; 5-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonic acid IUPAC Name: ethanol; hydrogen peroxide; 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid Traditional Name: ethanol; hydrogen peroxide; 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid Formula: C16H23IN2O7S MolecularWeight: 514.33249

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CI.OO

Isomeric SMILES

CCO.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CI.OO

InChI

InChI=1S/C14H15IN2O4S.C2H6O.H2O2/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21;1-2-3;1-2/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21);3H,2H2,1H3;1-2H