propyl (2E)-2-methylsulfonyl-2-(4-oxidanyl-1,3-dithiol-2-ylidene)ethanoate

Systemtic Name: propyl (2E)-2-methylsulfonyl-2-(4-oxidanyl-1,3-dithiol-2-ylidene)ethanoate Openeye Name: propyl (2E)-2-(4-hydroxy-1,3-dithiol-2-ylidene)-2-methylsulfonyl-acetate CAS Name: (2E)-2-(4-hydroxy-1,3-dithiol-2-ylidene)-2-methylsulfonylacetic acid propyl ester IUPAC Name: propyl (2E)-2-(4-hydroxy-1,3-dithiol-2-ylidene)-2-methylsulfonylacetate Traditional Name: (2E)-2-(4-hydroxy-1,3-dithiol-2-ylidene)-2-mesyl-acetic acid propyl ester Formula: C9H12O5S3 MolecularWeight: 296.38358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=C1SC=C(S1)O)S(=O)(=O)C

Isomeric SMILES

CCCOC(=O)/C(=C\1/SC=C(S1)O)/S(=O)(=O)C

InChI

InChI=1S/C9H12O5S3/c1-3-4-14-8(11)7(17(2,12)13)9-15-5-6(10)16-9/h5,10H,3-4H2,1-2H3/b9-7+