sodium 1-[3-[[4-[(4-azido-3-iodanyl-phenyl)diazenyl]phenyl]carbonylamino]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: sodium 1-[3-[[4-[(4-azido-3-iodanyl-phenyl)diazenyl]phenyl]carbonylamino]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: sodium 1-[3-[[4-(4-azido-3-iodo-phenyl)azobenzoyl]amino]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: sodium 1-[3-[[[4-(4-azido-3-iodophenyl)azophenyl]-oxomethyl]amino]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: sodium 1-[3-[[4-[(4-azido-3-iodophenyl)diazenyl]benzoyl]amino]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: sodium 1-[3-[[4-(4-azido-3-iodo-phenyl)azobenzoyl]amino]propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C20H16IN7NaO8S+ MolecularWeight: 664.34238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCNC(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)N=[N+]=[N-])I)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCNC(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)N=[N+]=[N-])I)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H16IN7O8S.Na/c21-14-9-13(5-6-15(14)26-27-22)25-24-12-3-1-11(2-4-12)19(31)23-8-7-18(30)36-28-17(29)10-16(20(28)32)37(33,34)35;/h1-6,9,16H,7-8,10H2,(H,23,31)(H,33,34,35);/q;+1