(2R)-2-acetamido-3-methoxy-3-oxidanylidene-propane-1-thiolate; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; oxoazanide; ruthenium(4+)

Systemtic Name: (2R)-2-acetamido-3-methoxy-3-oxidanylidene-propane-1-thiolate; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; oxoazanide; ruthenium(4+) Openeye Name: (2R)-2-acetamido-3-methoxy-3-oxo-propane-1-thiolate; nitroxyl anion; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; ruthenium(4+) CAS Name: (2R)-2-acetamido-3-methoxy-3-oxo-1-propanethiolate; nitroxyl anion; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; ruthenium(4+) IUPAC Name: (2R)-2-acetamido-3-methoxy-3-oxopropane-1-thiolate; nitroxyl anion; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; ruthenium(4+) Traditional Name: (2R)-2-acetamido-3-keto-3-methoxy-propane-1-thiolate; nitroxyl anion; 2,3,7,8,12,13,17,18-octaethylporphine-21,22-diide; ruthenium(4+) Formula: C42H54N6O4RuS MolecularWeight: 840.05096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.CC(=O)NC(C[S-])C(=O)OC.[N-]=O.[Ru+4]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.CC(=O)N[C@@H](C[S-])C(=O)OC.[N-]=O.[Ru+4]

InChI

InChI=1S/C36H44N4.C6H11NO3S.NO.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-4(8)7-5(3-11)6(9)10-2;1-2;/h17-20H,9-16H2,1-8H3;5,11H,3H2,1-2H3,(H,7,8);;/q-2;;-1;+4/p-1/t;5-;;/m.0../s1