1-phenylprop-2-enylsulfanyl hydrogen sulfate

Systemtic Name: 1-phenylprop-2-enylsulfanyl hydrogen sulfate Openeye Name: 1-phenylallylsulfanyl hydrogen sulfate CAS Name: 1-phenyl-2-propene-1-sulfenic acid sulfo ester IUPAC Name: 1-phenylprop-2-enylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (1-phenylallylthio) ester Formula: C9H10O4S2 MolecularWeight: 246.3033

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)SOS(=O)(=O)O

Isomeric SMILES

C=CC(C1=CC=CC=C1)SOS(=O)(=O)O

InChI

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