calcium 2-[1-[[[1-(2-methylpropanoyloxy)ethoxy-oxidanidyl-methylidene]amino]methyl]cyclohexyl]ethanoate

Systemtic Name: calcium 2-[1-[[[1-(2-methylpropanoyloxy)ethoxy-oxidanidyl-methylidene]amino]methyl]cyclohexyl]ethanoate Openeye Name: calcium 2-[1-[[[1-(2-methylpropanoyloxy)ethoxy-oxido-methylene]amino]methyl]cyclohexyl]acetate CAS Name: calcium 2-[1-[[[1-(2-methyl-1-oxopropoxy)ethoxy-oxidomethylidene]amino]methyl]cyclohexyl]acetate IUPAC Name: calcium 2-[1-[[[1-(2-methylpropanoyloxy)ethoxy-oxidomethylidene]amino]methyl]cyclohexyl]acetate Traditional Name: calcium 2-[1-[[[1-isobutyryloxyethoxy(oxido)methylene]amino]methyl]cyclohexyl]acetate Formula: C16H25CaNO6 MolecularWeight: 367.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C)OC(=NCC1(CCCCC1)CC(=O)[O-])[O-].[Ca+2]

Isomeric SMILES

CC(C)C(=O)OC(C)OC(=NCC1(CCCCC1)CC(=O)[O-])[O-].[Ca+2]

InChI

InChI=1S/C16H27NO6.Ca/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16;/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19);/q;+2/p-2