1-(2-acetyloxyphenyl)carbonyloxy-3-(2-methylpropanoyloxy)-1-oxidanyl-propane-2-sulfonic acid

Systemtic Name: 1-(2-acetyloxyphenyl)carbonyloxy-3-(2-methylpropanoyloxy)-1-oxidanyl-propane-2-sulfonic acid Openeye Name: 1-(2-acetoxybenzoyl)oxy-1-hydroxy-3-(2-methylpropanoyloxy)propane-2-sulfonic acid CAS Name: 1-[(2-acetyloxyphenyl)-oxomethoxy]-1-hydroxy-3-(2-methyl-1-oxopropoxy)-2-propanesulfonic acid IUPAC Name: 1-(2-acetyloxybenzoyl)oxy-1-hydroxy-3-(2-methylpropanoyloxy)propane-2-sulfonic acid Traditional Name: 1-(2-acetoxybenzoyl)oxy-1-hydroxy-3-isobutyryloxy-propane-2-sulfonic acid Formula: C16H20O10S MolecularWeight: 404.389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(C(O)OC(=O)C1=CC=CC=C1OC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC(C)C(=O)OCC(C(O)OC(=O)C1=CC=CC=C1OC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C16H20O10S/c1-9(2)14(18)24-8-13(27(21,22)23)16(20)26-15(19)11-6-4-5-7-12(11)25-10(3)17/h4-7,9,13,16,20H,8H2,1-3H3,(H,21,22,23)