[4-(sulfooxysulfanylmethyl)phenyl] ethanoate

Systemtic Name: [4-(sulfooxysulfanylmethyl)phenyl] ethanoate Openeye Name: [4-(sulfooxysulfanylmethyl)phenyl] acetate CAS Name: acetic acid [4-[(sulfooxythio)methyl]phenyl] ester IUPAC Name: [4-(sulfooxysulfanylmethyl)phenyl] acetate Traditional Name: acetic acid [4-[(sulfoxythio)methyl]phenyl] ester Formula: C9H10O6S2 MolecularWeight: 278.3021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CSOS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CSOS(=O)(=O)O

InChI

InChI=1S/C9H10O6S2/c1-7(10)14-9-4-2-8(3-5-9)6-16-15-17(11,12)13/h2-5H,6H2,1H3,(H,11,12,13)