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4-(1-acetyloxy-2-methyl-propan-2-yl)sulfonyl-3-phenyl-butanoic acid; methanol

4-(1-acetyloxy-2-methyl-propan-2-yl)sulfonyl-3-phenyl-butanoic acid; methanol

Systemtic Name:4-(1-acetyloxy-2-methyl-propan-2-yl)sulfonyl-3-phenyl-butanoic acid; methanol
Openeye Name:4-(2-acetoxy-1,1-dimethyl-ethyl)sulfonyl-3-phenyl-butanoic acid; methanol
CAS Name:4-(1-acetyloxy-2-methylpropan-2-yl)sulfonyl-3-phenylbutanoic acid; methanol
IUPAC Name:4-(1-acetyloxy-2-methylpropan-2-yl)sulfonyl-3-phenylbutanoic acid; methanol
Traditional Name:4-(2-acetoxy-1,1-dimethyl-ethyl)sulfonyl-3-phenyl-butyric acid; methanol
Formula: C17H26O7S
MolecularWeight: 374.44914
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)S(=O)(=O)CC(CC(=O)O)C1=CC=CC=C1.CO


Isomeric SMILES

CC(=O)OCC(C)(C)S(=O)(=O)CC(CC(=O)O)C1=CC=CC=C1.CO


InChI

InChI=1S/C16H22O6S.CH4O/c1-12(17)22-11-16(2,3)23(20,21)10-14(9-15(18)19)13-7-5-4-6-8-13;1-2/h4-8,14H,9-11H2,1-3H3,(H,18,19);2H,1H3


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