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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClNO6.Na/c1-2-7-20(29-21(26)16-8-4-3-5-9-16)30-22(27)24-15-6-10-19(25)28-18-13-11-17(23)12-14-18;/h11-14,16,20H,2-10,15H2,1H3,(H,24,27);/q;+1