disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate

Systemtic Name: disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate Openeye Name: disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate CAS Name: disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate IUPAC Name: disodium 2-[[(2-sulfinatophenyl)methyldisulfanyl]methyl]benzenesulfinate trihydrate Traditional Name: disodium 2-[[(2-sulfinatobenzyl)disulfanyl]methyl]benzenesulfinate trihydrate Formula: C14H18Na2O7S4 MolecularWeight: 472.52806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSSCC2=CC=CC=C2S(=O)[O-])S(=O)[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)CSSCC2=CC=CC=C2S(=O)[O-])S(=O)[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C14H14O4S4.2Na.3H2O/c15-21(16)13-7-3-1-5-11(13)9-19-20-10-12-6-2-4-8-14(12)22(17)18;;;;;/h1-8H,9-10H2,(H,15,16)(H,17,18);;;3*1H2/q;2*+1;;;/p-2