cyclopenta-1,3-diene; molybdenum; oxoazanide; phenylmethanethiolate

Systemtic Name: cyclopenta-1,3-diene; molybdenum; oxoazanide; phenylmethanethiolate Openeye Name: cyclopenta-1,3-diene; molybdenum; nitroxyl anion; phenylmethanethiolate CAS Name: cyclopenta-1,3-diene; molybdenum; nitroxyl anion; phenylmethanethiolate IUPAC Name: cyclopenta-1,3-diene; molybdenum; nitroxyl anion; phenylmethanethiolate Traditional Name: cyclopenta-1,3-diene; molybdenum; nitroxyl anion; phenylmethanethiolate Formula: C38H38Mo2N2O2S4-8 MolecularWeight: 874.86052

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].[N-]=O.[N-]=O.[Mo].[Mo]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].[N-]=O.[N-]=O.[Mo].[Mo]

InChI

InChI=1S/4C7H8S.2C5H5.2Mo.2NO/c4*8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;;;2*1-2/h4*1-5,8H,6H2;2*1-5H;;;;/q;;;;2*-1;;;2*-1/p-4