cobalt(2+); ethanoyloxidanium; 4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: cobalt(2+); ethanoyloxidanium; 4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: cobaltous; acetyloxonium; 4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: acetyloxonium; cobalt(2+); 4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: acetyloxidanium; cobalt(2+); 4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: cobaltous; acetyloxonium; 4-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C36H33CoN8O8S2+3 MolecularWeight: 828.75922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[OH2+].C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.[Co+2]

Isomeric SMILES

CC(=O)[OH2+].C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.[Co+2]

InChI

InChI=1S/2C17H14N4O3S.C2H4O2.Co/c2*22-16-5-2-1-4-13(16)12-20-14-6-8-15(9-7-14)25(23,24)21-17-18-10-3-11-19-17;1-2(3)4;/h2*1-12,20H,(H,18,19,21);1H3,(H,3,4);/q;;;+2/p+1