diethoxy-bis(sulfanidyl)phosphanium; molybdenum(4+); 2-phenylethynylbenzene

Systemtic Name: diethoxy-bis(sulfanidyl)phosphanium; molybdenum(4+); 2-phenylethynylbenzene Openeye Name: diethoxy(disulfido)phosphonium; molybdenum(4+); 2-phenylethynylbenzene CAS Name: diethoxy(disulfido)phosphonium; molybdenum(4+); 2-phenylethynylbenzene IUPAC Name: diethoxy(disulfido)phosphanium; molybdenum(4+); 2-phenylethynylbenzene Traditional Name: diethoxy(disulfido)phosphonium; molybdenum(4+); 2-phenylethynylbenzene Formula: C36H40MoO4P2S4+2 MolecularWeight: 822.847922

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Descriptors Computed from Structure

Canonical SMILES:

CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Mo+4]

Isomeric SMILES

CCO[P+](OCC)([S-])[S-].CCO[P+](OCC)([S-])[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Mo+4]

InChI

InChI=1S/2C14H10.2C4H11O2PS2.Mo/c2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-5-7(8,9)6-4-2;/h2*1-10H;2*3-4H2,1-2H3,(H,8,9);/q;;;;+4/p-2