(3aR,7aS)-4,5,7,7a-tetrahydro-3aH-2-benzofuran-5-ide-1,3-dione; cobalt; (6Z)-6-[[2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; hydrate

Systemtic Name: (3aR,7aS)-4,5,7,7a-tetrahydro-3aH-2-benzofuran-5-ide-1,3-dione; cobalt; (6Z)-6-[[2-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; hydrate Openeye Name: (3aR,7aS)-4,5,7,7a-tetrahydro-3aH-isobenzofuran-5-ide-1,3-dione; cobalt; (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; hydrate CAS Name: (3aR,7aS)-4,5,7,7a-tetrahydro-3aH-isobenzofuran-5-ide-1,3-dione; cobalt; (6Z)-6-[[2-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone; hydrate IUPAC Name: (3aR,7aS)-4,5,7,7a-tetrahydro-3aH-2-benzofuran-5-ide-1,3-dione; cobalt; (6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; hydrate Traditional Name: (3aR,7aS)-4,5,7,7a-tetrahydro-3aH-isobenzofuran-5-ide-1,3-quinone; cobalt; (6Z)-6-[[2-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; hydrate Formula: C24H25CoN2O6- MolecularWeight: 496.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1C=[C-]CC2C1C(=O)OC2=O.C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.O.[Co]

Isomeric SMILES

C1[C@@H]2C(=O)OC(=O)[C@@H]2C[C-]=C1.C1=C/C(=C/NCCN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1.O.[Co]

InChI

InChI=1S/C16H16N2O2.C8H7O3.Co.H2O/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;9-7-5-3-1-2-4-6(5)8(10)11-7;;/h1-8,11-12,17-18H,9-10H2;1,5-6H,3-4H2;;1H2/q;-1;;/b13-11-,14-12-;;;/t;5-,6+;;/m.0../s1