carboxymethyl-[2-[[(Z)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanoyl]azanide; copper(1+); trihydrate

Systemtic Name: carboxymethyl-[2-[[(Z)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethanoyl]azanide; copper(1+); trihydrate Openeye Name: cuprous carboxymethyl-[2-[[(Z)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]acetyl]azanide trihydrate CAS Name: carboxymethyl-[2-[[(Z)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-1-oxoethyl]azanide; copper(1+); trihydrate IUPAC Name: carboxymethyl-[2-[[(Z)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]acetyl]azanide; copper(1+); trihydrate Traditional Name: cuprous carboxymethyl-[2-[[(Z)-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]acetyl]azanide trihydrate Formula: C12H19CuN2O8 MolecularWeight: 382.83386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNCC(=O)[N-]CC(=O)O)C1=O.O.O.O.[Cu+]

Isomeric SMILES

COC1=CC=C/C(=C/NCC(=O)[N-]CC(=O)O)/C1=O.O.O.O.[Cu+]

InChI

InChI=1S/C12H14N2O5.Cu.3H2O/c1-19-9-4-2-3-8(12(9)18)5-13-6-10(15)14-7-11(16)17;;;;/h2-5H,6-7H2,1H3,(H3,13,14,15,16,17,18);;3*1H2/q;+1;;;/p-1