tetrasodium 2-[[6,13-bis(chloranyl)-3-(2-oxidanidylperoxysulfanyloxyethylamino)-4-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)-11-(2-sulfonatooxyethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate

Systemtic Name: tetrasodium 2-[[6,13-bis(chloranyl)-3-(2-oxidanidylperoxysulfanyloxyethylamino)-4-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)-11-(2-sulfonatooxyethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate Openeye Name: tetrasodium 2-[[6,13-dichloro-3-(2-oxidoperoxysulfanyloxyethylamino)-4-(2-oxidoperoxysulfanyloxyethylsulfonyl)-11-(2-sulfonatooxyethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate CAS Name: tetrasodium 2-[[6,13-dichloro-3-[2-(oxidodioxythio)oxyethylamino]-4-[2-(oxidodioxythio)oxyethylsulfonyl]-11-(2-sulfonatooxyethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate IUPAC Name: tetrasodium 2-[[6,13-dichloro-3-(2-oxidoperoxysulfanyloxyethylamino)-4-(2-oxidoperoxysulfanyloxyethylsulfonyl)-11-(2-sulfonatooxyethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate Traditional Name: tetrasodium 2-[[6,13-dichloro-3-[2-(oxidoperoxythio)oxyethylamino]-4-[2-(oxidoperoxythio)oxyethylsulfonyl]-11-(2-sulfatoethoxysulfinyl)-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]ethyl sulfate Formula: C26H22Cl2N4Na4O22S6 MolecularWeight: 1097.72156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1N=C3C(=C(C4=NC5=C(C(=C(C=C5)NCCOSOO[O-])S(=O)(=O)CCOSOO[O-])OC4=C3Cl)Cl)O2)S(=O)OCCOS(=O)(=O)[O-])NCCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C2=C1N=C3C(=C(C4=NC5=C(C(=C(C=C5)NCCOSOO[O-])S(=O)(=O)CCOSOO[O-])OC4=C3Cl)Cl)O2)S(=O)OCCOS(=O)(=O)[O-])NCCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H26Cl2N4O22S6.4Na/c27-17-20-24(50-22-14(32-20)2-4-16(30-5-7-44-55-53-51-33)26(22)58(36,37)12-11-45-56-54-52-34)18(28)19-23(17)49-21-13(31-19)1-3-15(29-6-8-47-59(38,39)40)25(21)57(35)46-9-10-48-60(41,42)43;;;;/h1-4,29-30,33-34H,5-12H2,(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4