manganese(3+); (3E)-4-oxidanylidene-3-[[2-[[(E)-(6-oxidanylidene-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: manganese(3+); (3E)-4-oxidanylidene-3-[[2-[[(E)-(6-oxidanylidene-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-1,5-diene-1-sulfonate Openeye Name: dimanganic (3E)-4-oxo-3-[[2-[[(E)-(6-oxo-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-1,5-diene-1-sulfonate CAS Name: manganese(3+); (3E)-4-oxo-3-[[2-[[(E)-(6-oxo-3-sulfonato-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]methylidene]-1-cyclohexa-1,5-dienesulfonate IUPAC Name: manganese(3+); (3E)-4-oxo-3-[[2-[[(E)-(6-oxo-3-sulfonatocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-1,5-diene-1-sulfonate Traditional Name: dimanganic (3E)-4-keto-3-[[2-[[(E)-(6-keto-3-sulfonato-cyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-1,5-diene-1-sulfonate Formula: C48H42Mn2N6O24S6 MolecularWeight: 1389.138978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCNC=C2C=C(C=CC2=O)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].C1=CC(=O)C(=CNCCNC=C2C=C(C=CC2=O)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].C1=CC(=O)C(=CNCCNC=C2C=C(C=CC2=O)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Mn+3].[Mn+3]

Isomeric SMILES

C1=CC(=O)/C(=C/NCCN/C=C\2/C(=O)C=CC(=C2)S(=O)(=O)[O-])/C=C1S(=O)(=O)[O-].C1=CC(=O)/C(=C/NCCN/C=C\2/C(=O)C=CC(=C2)S(=O)(=O)[O-])/C=C1S(=O)(=O)[O-].C1=CC(=O)/C(=C/NCCN/C=C\2/C(=O)C=CC(=C2)S(=O)(=O)[O-])/C=C1S(=O)(=O)[O-].[Mn+3].[Mn+3]

InChI

InChI=1S/3C16H16N2O8S2.2Mn/c3*19-15-3-1-13(27(21,22)23)7-11(15)9-17-5-6-18-10-12-8-14(28(24,25)26)2-4-16(12)20;;/h3*1-4,7-10,17-18H,5-6H2,(H,21,22,23)(H,24,25,26);;/q;;;2*+3/p-6/b3*11-9+,12-10+;;