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

Systemtic Name: sodium [1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]-2-methyl-propyl] cyclohexanecarboxylate Openeye Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxy]-2-methyl-propyl] cyclohexanecarboxylate CAS Name: sodium cyclohexanecarboxylic acid [1-[[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]-2-methylpropyl] ester IUPAC Name: sodium [1-[[4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxy]-2-methylpropyl] cyclohexanecarboxylate Traditional Name: sodium cyclohexanecarboxylic acid [1-[[4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxy]-2-methyl-propyl] ester Formula: C22H30ClNNaO6+ MolecularWeight: 462.91947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C1CCCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

CC(C)C(OC(=O)C1CCCCC1)OC(=O)NCCCC(=O)OC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C22H30ClNO6.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;/h10-13,15-16,21H,3-9,14H2,1-2H3,(H,24,27);/q;+1