5-acetamido-2-[(E)-2-[4-(2-iodanylethanoylamino)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-acetamido-2-[(E)-2-[4-(2-iodanylethanoylamino)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-acetamido-2-[(E)-2-[4-[(2-iodo-1-oxoethyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C18H17IN2O8S2 MolecularWeight: 580.37065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17IN2O8S2/c1-11(22)20-14-6-4-12(16(8-14)30(24,25)26)2-3-13-5-7-15(21-18(23)10-19)9-17(13)31(27,28)29/h2-9H,10H2,1H3,(H,20,22)(H,21,23)(H,24,25,26)(H,27,28,29)/b3-2+