2-(3-methylphenyl)sulfonylethyl hydrogen sulfate

Systemtic Name: 2-(3-methylphenyl)sulfonylethyl hydrogen sulfate Openeye Name: 2-(m-tolylsulfonyl)ethyl hydrogen sulfate CAS Name: sulfuric acid 2-(3-methylphenyl)sulfonylethyl ester IUPAC Name: 2-(3-methylphenyl)sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-(m-tolylsulfonyl)ethyl ester Formula: C9H12O6S2 MolecularWeight: 280.31798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C9H12O6S2/c1-8-3-2-4-9(7-8)16(10,11)6-5-15-17(12,13)14/h2-4,7H,5-6H2,1H3,(H,12,13,14)