phenethyl 2,4-bis(methylsulfonyloxy)butanoate

Systemtic Name: phenethyl 2,4-bis(methylsulfonyloxy)butanoate Openeye Name: phenethyl 2,4-bis(methylsulfonyloxy)butanoate CAS Name: 2,4-bis(methylsulfonyloxy)butanoic acid phenethyl ester IUPAC Name: phenethyl 2,4-bis(methylsulfonyloxy)butanoate Traditional Name: 2,4-bis(methylsulfonyloxy)butyric acid phenethyl ester Formula: C14H20O8S2 MolecularWeight: 380.4338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(C(=O)OCCC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCCC(C(=O)OCCC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C14H20O8S2/c1-23(16,17)21-11-9-13(22-24(2,18)19)14(15)20-10-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3