decasodium 2-[3-[[3,4,5,6-tetrakis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]oxan-2-yl]methoxy]propylsulfanyl]butanedioate

Systemtic Name: decasodium 2-[3-[[3,4,5,6-tetrakis[3-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropoxy]oxan-2-yl]methoxy]propylsulfanyl]butanedioate Openeye Name: decasodium 2-[3-[[3,4,5,6-tetrakis[3-(1-carboxylato-3-oxido-3-oxo-propyl)sulfanylpropoxy]tetrahydropyran-2-yl]methoxy]propylsulfanyl]butanedioate CAS Name: decasodium 2-[3-[[3,4,5,6-tetrakis[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)thio]propoxy]-2-oxanyl]methoxy]propylthio]butanedioate IUPAC Name: decasodium 2-[3-[[3,4,5,6-tetrakis[3-(1,4-dioxido-1,4-dioxobutan-2-yl)sulfanylpropoxy]oxan-2-yl]methoxy]propylsulfanyl]butanedioate Traditional Name: decasodium 2-[3-[[3,4,5,6-tetrakis[3-[(1-carboxylato-3-keto-3-oxido-propyl)thio]propoxy]tetrahydropyran-2-yl]methoxy]propylthio]succinate Formula: C41H52Na10O26S5 MolecularWeight: 1351.05868

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Descriptors Computed from Structure

Canonical SMILES:

C(COCC1C(C(C(C(O1)OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])CSC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C(COCC1C(C(C(C(O1)OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])OCCCSC(CC(=O)[O-])C(=O)[O-])CSC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C41H62O26S5.10Na/c42-28(43)16-23(36(52)53)68-11-1-6-62-21-22-33(63-7-2-12-69-24(37(54)55)17-29(44)45)34(64-8-3-13-70-25(38(56)57)18-30(46)47)35(65-9-4-14-71-26(39(58)59)19-31(48)49)41(67-22)66-10-5-15-72-27(40(60)61)20-32(50)51;;;;;;;;;;/h22-27,33-35,41H,1-21H2,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61);;;;;;;;;;/q;10*+1/p-10