3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonic acid Openeye Name: 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonic acid CAS Name: 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]-1-propanesulfonic acid IUPAC Name: 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonic acid Traditional Name: 3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methoxy]propane-1-sulfonic acid Formula: C10H12O4S5 MolecularWeight: 356.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C2SC=C(S2)COCCCS(=O)(=O)O)S1

Isomeric SMILES

C1=CSC(=C2SC=C(S2)COCCCS(=O)(=O)O)S1

InChI

InChI=1S/C10H12O4S5/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)