disodium 2-[[3-(2-sulfonatoethylsulfanylmethyl)-1,2,4,5-tetrathiepan-6-yl]methylsulfanyl]ethanesulfonate

Systemtic Name: disodium 2-[[3-(2-sulfonatoethylsulfanylmethyl)-1,2,4,5-tetrathiepan-6-yl]methylsulfanyl]ethanesulfonate Openeye Name: disodium 2-[[3-(2-sulfonatoethylsulfanylmethyl)-1,2,4,5-tetrathiepan-6-yl]methylsulfanyl]ethanesulfonate CAS Name: disodium 2-[[3-[(2-sulfonatoethylthio)methyl]-1,2,4,5-tetrathiepan-6-yl]methylthio]ethanesulfonate IUPAC Name: disodium 2-[[3-(2-sulfonatoethylsulfanylmethyl)-1,2,4,5-tetrathiepan-6-yl]methylsulfanyl]ethanesulfonate Traditional Name: disodium 2-[[3-[(2-sulfonatoethylthio)methyl]-1,2,4,5-tetrathiepan-6-yl]methylthio]ethanesulfonate Formula: C9H16Na2O6S8 MolecularWeight: 522.71928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SSC(SS1)CSCCS(=O)(=O)[O-])CSCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C(SSC(SS1)CSCCS(=O)(=O)[O-])CSCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H18O6S8.2Na/c10-22(11,12)3-1-16-5-8-6-18-20-9(21-19-8)7-17-2-4-23(13,14)15;;/h8-9H,1-7H2,(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2