sodium [1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]-2-methyl-propyl] benzoate

Systemtic Name: sodium [1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]-2-methyl-propyl] benzoate Openeye Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxy]-2-methyl-propyl] benzoate CAS Name: sodium benzoic acid [1-[[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]-2-methylpropyl] ester IUPAC Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxy]-2-methylpropyl] benzoate Traditional Name: sodium benzoic acid [1-[[4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxy]-2-methyl-propyl] ester Formula: C22H24ClNNaO6+ MolecularWeight: 456.87183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C1=CC=CC=C1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

CC(C)C(OC(=O)C1=CC=CC=C1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C22H24ClNO6.Na/c1-15(2)21(29-20(26)16-7-4-3-5-8-16)30-22(27)24-14-6-9-19(25)28-18-12-10-17(23)11-13-18;/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3,(H,24,27);/q;+1