disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; oxolane; phenylphosphaniumylmethylidynemolybdenum

Systemtic Name: disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; oxolane; phenylphosphaniumylmethylidynemolybdenum Openeye Name: disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; phenylphosphaniumylmethylidynemolybdenum; tetrahydrofuran CAS Name: disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; oxolane; phenylphosphiniumylmethylidynemolybdenum IUPAC Name: disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; oxolane; phenylphosphaniumylmethylidynemolybdenum Traditional Name: disodium; tert-butyl-(3,5-dimethylphenyl)azanide; ethoxyethane; phenylphosphiniumylmethylidynemolybdenum; tetrahydrofuran Formula: C102H158Mo2N6Na2O4P2-2 MolecularWeight: 1832.190782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.CCOCC.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)[PH2+]C#[Mo].C1=CC=C(C=C1)[PH2+]C#[Mo].[Na+].[Na+]

Isomeric SMILES

CCOCC.CCOCC.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.CC1=CC(=CC(=C1)[N-]C(C)(C)C)C.C1CCOC1.C1CCOC1.C1=CC=C(C=C1)[PH2+]C#[Mo].C1=CC=C(C=C1)[PH2+]C#[Mo].[Na+].[Na+]

InChI

InChI=1S/6C12H18N.2C7H7P.2C4H8O.2C4H10O.2Mo.2Na/c6*1-9-6-10(2)8-11(7-9)13-12(3,4)5;2*1-8-7-5-3-2-4-6-7;2*1-2-4-5-3-1;2*1-3-5-4-2;;;;/h6*6-8H,1-5H3;2*2-6H,8H2;2*1-4H2;2*3-4H2,1-2H3;;;;/q6*-1;2*+1;;;;;;;2*+1