5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-2-sulfonic acid CAS Name: 5-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-2-naphthalenesulfonic acid IUPAC Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-2-sulfonic acid Traditional Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-2-sulfonic acid Formula: C14H15IN2O4S MolecularWeight: 434.24937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NCCNC(=O)CI

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NCCNC(=O)CI

InChI

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