sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonate Openeye Name: sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonate CAS Name: sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-1-propanesulfonate IUPAC Name: sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonate Traditional Name: sodium 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonate Formula: C10H11NaO4S5 MolecularWeight: 378.50671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C2SC=C(S2)COCCCS(=O)(=O)[O-])S1.[Na+]

Isomeric SMILES

C1=CSC(=C2SC=C(S2)COCCCS(=O)(=O)[O-])S1.[Na+]

InChI

InChI=1S/C10H12O4S5.Na/c11-19(12,13)5-1-2-14-6-8-7-17-10(18-8)9-15-3-4-16-9;/h3-4,7H,1-2,5-6H2,(H,11,12,13);/q;+1/p-1