sodium 4-[bis[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[bis[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[bis[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-4-oxo-butanoate CAS Name: sodium 4-[bis[4-(2,2-dimethyl-1-oxopropoxy)phenyl]methoxy]-4-oxobutanoate IUPAC Name: sodium 4-[bis[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-4-oxobutanoate Traditional Name: sodium 4-[bis(4-pivaloyloxyphenyl)methoxy]-4-keto-butyrate Formula: C27H31NaO8 MolecularWeight: 506.52001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C(C)(C)C)OC(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C(C)(C)C)OC(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C27H32O8.Na/c1-26(2,3)24(31)33-19-11-7-17(8-12-19)23(35-22(30)16-15-21(28)29)18-9-13-20(14-10-18)34-25(32)27(4,5)6;/h7-14,23H,15-16H2,1-6H3,(H,28,29);/q;+1/p-1