sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl 2-methylbutanoate

Systemtic Name: sodium [4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxymethyl 2-methylbutanoate Openeye Name: sodium [4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxymethyl 2-methylbutanoate CAS Name: sodium 2-methylbutanoic acid [[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]methyl ester IUPAC Name: sodium [4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxymethyl 2-methylbutanoate Traditional Name: sodium 2-methylbutyric acid [4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxymethyl ester Formula: C17H22ClNNaO6+ MolecularWeight: 394.80245

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCOC(=O)NCCCC(=O)OC1=CC=C(C=C1)Cl.[Na+]

Isomeric SMILES

CCC(C)C(=O)OCOC(=O)NCCCC(=O)OC1=CC=C(C=C1)Cl.[Na+]

InChI

InChI=1S/C17H22ClNO6.Na/c1-3-12(2)16(21)23-11-24-17(22)19-10-4-5-15(20)25-14-8-6-13(18)7-9-14;/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22);/q;+1