diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene

Systemtic Name: diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene Openeye Name: diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene CAS Name: diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene IUPAC Name: diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene Traditional Name: diethylaminomethylidynetungsten; 4-methylbenzenethiolate; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene Formula: C29H39NS2W-3 MolecularWeight: 649.59666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C#[W].C[C-]1C(=C(C(=C1C)C)C)C.CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-]

Isomeric SMILES

CCN(CC)C#[W].C[C-]1C(=C(C(=C1C)C)C)C.CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-]

InChI

InChI=1S/C10H15.2C7H8S.C5H10N.W/c1-6-7(2)9(4)10(5)8(6)3;2*1-6-2-4-7(8)5-3-6;1-4-6(3)5-2;/h1-5H3;2*2-5,8H,1H3;4-5H2,1-2H3;/q-1;;;;/p-2