bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; oxidanylidenemolybdenum

Systemtic Name: bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; oxidanylidenemolybdenum Openeye Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; oxomolybdenum CAS Name: bis(4-tert-butylphenyl)-(2-pyridinyl)methanethiolate; oxomolybdenum IUPAC Name: bis(4-tert-butylphenyl)-pyridin-2-ylmethanethiolate; oxomolybdenum Traditional Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; ketomolybdenum Formula: C52H60MoN2OS2-2 MolecularWeight: 889.1156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=N3)[S-].CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=N3)[S-].O=[Mo]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=N3)[S-].CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=CC=N3)[S-].O=[Mo]

InChI

InChI=1S/2C26H31NS.Mo.O/c2*1-24(2,3)19-10-14-21(15-11-19)26(28,23-9-7-8-18-27-23)22-16-12-20(13-17-22)25(4,5)6;;/h2*7-18,28H,1-6H3;;/p-2