2-[[3-(2,2-dimethylpropanoyloxy)-2-oxidanyl-propyl]sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: 2-[[3-(2,2-dimethylpropanoyloxy)-2-oxidanyl-propyl]sulfonylmethyl]-3-phenyl-propanoate Openeye Name: 2-benzyl-3-[3-(2,2-dimethylpropanoyloxy)-2-hydroxy-propyl]sulfonyl-propanoate CAS Name: 2-[[3-(2,2-dimethyl-1-oxopropoxy)-2-hydroxypropyl]sulfonylmethyl]-3-phenylpropanoate IUPAC Name: 2-benzyl-3-[3-(2,2-dimethylpropanoyloxy)-2-hydroxypropyl]sulfonylpropanoate Traditional Name: 2-benzyl-3-(2-hydroxy-3-pivaloyloxy-propyl)sulfonyl-propionate Formula: C18H25O7S- MolecularWeight: 385.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)[O-])O

Isomeric SMILES

CC(C)(C)C(=O)OCC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)[O-])O

InChI

InChI=1S/C18H26O7S/c1-18(2,3)17(22)25-10-15(19)12-26(23,24)11-14(16(20)21)9-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3,(H,20,21)/p-1