2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+)

Systemtic Name: 2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+) Openeye Name: 2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+) CAS Name: 2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+) IUPAC Name: 2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+) Traditional Name: 2-methylbenzenethiolate; 2-phenylethynylbenzene; tungsten(2+) Formula: C56H52S6W2-2 MolecularWeight: 1285.08208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[W+2].[W+2]

Isomeric SMILES

CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].CC1=CC=CC=C1[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[W+2].[W+2]

InChI

InChI=1S/C14H10.6C7H8S.2W/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6*1-6-4-2-3-5-7(6)8;;/h1-10H;6*2-5,8H,1H3;;/q;;;;;;;2*+2/p-6