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

Systemtic Name: sodium 1-[[4-(4-chloranylphenoxy)-4-oxidanylidene-butyl]carbamoyloxy]propyl cyclohexanecarboxylate Openeye Name: sodium 1-[[4-(4-chlorophenoxy)-4-oxo-butyl]carbamoyloxy]propyl cyclohexanecarboxylate CAS Name: sodium cyclohexanecarboxylic acid 1-[[[4-(4-chlorophenoxy)-4-oxobutyl]amino]-oxomethoxy]propyl ester IUPAC Name: sodium 1-[[4-(4-chlorophenoxy)-4-oxobutyl]carbamoyloxy]propyl cyclohexanecarboxylate Traditional Name: sodium cyclohexanecarboxylic acid 1-[[4-(4-chlorophenoxy)-4-keto-butyl]carbamoyloxy]propyl ester Formula: C21H28ClNNaO6+ MolecularWeight: 448.89289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO6.Na/c1-2-19(28-20(25)15-7-4-3-5-8-15)29-21(26)23-14-6-9-18(24)27-17-12-10-16(22)11-13-17;/h10-13,15,19H,2-9,14H2,1H3,(H,23,26);/q;+1