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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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