bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; bis(oxidanylidene)molybdenum(2+)

Systemtic Name: bis(4-tert-butylphenyl)-pyridin-2-yl-methanethiolate; bis(oxidanylidene)molybdenum(2+) Openeye Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; dioxomolybdenum(2+) CAS Name: bis(4-tert-butylphenyl)-(2-pyridinyl)methanethiolate; dioxomolybdenum(2+) IUPAC Name: bis(4-tert-butylphenyl)-pyridin-2-ylmethanethiolate; dioxomolybdenum(2+) Traditional Name: bis(4-tert-butylphenyl)-(2-pyridyl)methanethiolate; diketomolybdenum(2+) Formula: C52H60MoN2O2S2 MolecularWeight: 905.115

Click to see the large picture

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+2]=O

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+2]=O

InChI

InChI=1S/2C26H31NS.Mo.2O/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;;;/q;;+2;;/p-2