8-(1-acetamido-2-iodanyl-ethyl)-2-azanyl-naphthalene-1-sulfonic acid

Systemtic Name: 8-(1-acetamido-2-iodanyl-ethyl)-2-azanyl-naphthalene-1-sulfonic acid Openeye Name: 8-(1-acetamido-2-iodo-ethyl)-2-amino-naphthalene-1-sulfonic acid CAS Name: 8-(1-acetamido-2-iodoethyl)-2-amino-1-naphthalenesulfonic acid IUPAC Name: 8-(1-acetamido-2-iodoethyl)-2-aminonaphthalene-1-sulfonic acid Traditional Name: 8-(1-acetamido-2-iodo-ethyl)-2-amino-naphthalene-1-sulfonic acid Formula: C14H15IN2O4S MolecularWeight: 434.24937

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CI)C1=CC=CC2=C1C(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC(CI)C1=CC=CC2=C1C(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H15IN2O4S/c1-8(18)17-12(7-15)10-4-2-3-9-5-6-11(16)14(13(9)10)22(19,20)21/h2-6,12H,7,16H2,1H3,(H,17,18)(H,19,20,21)