diethoxy-bis(sulfanidyl)phosphanium; (4-methylphenyl)azaniumylidynemolybdenum; sulfanide

Systemtic Name: diethoxy-bis(sulfanidyl)phosphanium; (4-methylphenyl)azaniumylidynemolybdenum; sulfanide Openeye Name: diethoxy(disulfido)phosphonium; p-tolylnitriliomolybdenum; sulfanide CAS Name: diethoxy(disulfido)phosphonium; (4-methylphenyl)nitriliomolybdenum; sulfanide IUPAC Name: diethoxy(disulfido)phosphanium; (4-methylphenyl)azaniumylidynemolybdenum; sulfanide Traditional Name: diethoxy(disulfido)phosphonium; p-tolylnitriliomolybdenum; tetrabisulfide Formula: C44H72Mo4N4O8P4S12-4 MolecularWeight: 1677.499524

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Descriptors Computed from Structure

Canonical SMILES:

CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].[SH-].[SH-].[SH-].[SH-]

Isomeric SMILES

CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].CC1=CC=C(C=C1)[N+]#[Mo].[SH-].[SH-].[SH-].[SH-]

InChI

InChI=1S/4C7H7N.4C4H11O2PS2.4Mo.4H2S/c4*1-6-2-4-7(8)5-3-6;4*1-3-5-7(8,9)6-4-2;;;;;;;;/h4*2-5H,1H3;4*3-4H2,1-2H3,(H,8,9);;;;;4*1H2/q4*+1;;;;;;;;;;;;/p-8