sodium 2,5-bis(2,2-dimethylpropanoyloxy)benzenesulfonate

Systemtic Name: sodium 2,5-bis(2,2-dimethylpropanoyloxy)benzenesulfonate Openeye Name: sodium 2,5-bis(2,2-dimethylpropanoyloxy)benzenesulfonate CAS Name: sodium 2,5-bis(2,2-dimethyl-1-oxopropoxy)benzenesulfonate IUPAC Name: sodium 2,5-bis(2,2-dimethylpropanoyloxy)benzenesulfonate Traditional Name: sodium 2,5-dipivaloyloxybesylate Formula: C16H21NaO7S MolecularWeight: 380.38851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H22O7S.Na/c1-15(2,3)13(17)22-10-7-8-11(12(9-10)24(19,20)21)23-14(18)16(4,5)6;/h7-9H,1-6H3,(H,19,20,21);/q;+1/p-1