4-azanylidene-1,4-bis[[4-(2-iodanylethanoylamino)phenyl]carbonyloxy]-1-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 4-azanylidene-1,4-bis[[4-(2-iodanylethanoylamino)phenyl]carbonyloxy]-1-oxidanylidene-butane-2-sulfonic acid Openeye Name: 4-imino-1,4-bis[[4-[(2-iodoacetyl)amino]benzoyl]oxy]-1-oxo-butane-2-sulfonic acid CAS Name: 4-imino-1,4-bis[[4-[(2-iodo-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxo-2-butanesulfonic acid IUPAC Name: 4-imino-1,4-bis[[4-[(2-iodoacetyl)amino]benzoyl]oxy]-1-oxobutane-2-sulfonic acid Traditional Name: 4-imino-1,4-bis[[4-[(2-iodoacetyl)amino]benzoyl]oxy]-1-keto-butane-2-sulfonic acid Formula: C22H19I2N3O10S MolecularWeight: 771.2743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19I2N3O10S/c23-10-18(28)26-14-5-1-12(2-6-14)20(30)36-17(25)9-16(38(33,34)35)22(32)37-21(31)13-3-7-15(8-4-13)27-19(29)11-24/h1-8,16,25H,9-11H2,(H,26,28)(H,27,29)(H,33,34,35)