1-methyl-4-(2-sulfosulfanylethanoyl)benzene

Systemtic Name: 1-methyl-4-(2-sulfosulfanylethanoyl)benzene Openeye Name: 1-methyl-4-(2-sulfosulfanylacetyl)benzene CAS Name: 1-methyl-4-[1-oxo-2-(sulfothio)ethyl]benzene IUPAC Name: 1-methyl-4-(2-sulfosulfanylacetyl)benzene Traditional Name: 1-methyl-4-[2-(sulfothio)acetyl]benzene Formula: C9H10O4S2 MolecularWeight: 246.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSS(=O)(=O)O

InChI

InChI=1S/C9H10O4S2/c1-7-2-4-8(5-3-7)9(10)6-14-15(11,12)13/h2-5H,6H2,1H3,(H,11,12,13)