calcium 5-methyl-2-[[[oxidanidyl-[2-(phenylcarbonyloxy)ethoxy]methylidene]amino]methyl]hexanoate

Systemtic Name: calcium 5-methyl-2-[[[oxidanidyl-[2-(phenylcarbonyloxy)ethoxy]methylidene]amino]methyl]hexanoate Openeye Name: calcium 2-[[[2-benzoyloxyethoxy(oxido)methylene]amino]methyl]-5-methyl-hexanoate CAS Name: calcium 2-[[[2-benzoyloxyethoxy(oxido)methylidene]amino]methyl]-5-methylhexanoate IUPAC Name: calcium 2-[[[2-benzoyloxyethoxy(oxido)methylidene]amino]methyl]-5-methylhexanoate Traditional Name: calcium 2-[[[2-benzoyloxyethoxy(oxido)methylene]amino]methyl]-5-methyl-hexanoate Formula: C18H23CaNO6 MolecularWeight: 389.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN=C([O-])OCCOC(=O)C1=CC=CC=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)CCC(CN=C([O-])OCCOC(=O)C1=CC=CC=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H25NO6.Ca/c1-13(2)8-9-15(16(20)21)12-19-18(23)25-11-10-24-17(22)14-6-4-3-5-7-14;/h3-7,13,15H,8-12H2,1-2H3,(H,19,23)(H,20,21);/q;+2/p-2