ethane-1,1-diol; mercury; tris(2-methylphenyl)phosphanium

Systemtic Name: ethane-1,1-diol; mercury; tris(2-methylphenyl)phosphanium Openeye Name: ethane-1,1-diol; mercury; tris-o-tolylphosphonium CAS Name: ethane-1,1-diol; mercury; tris(2-methylphenyl)phosphonium IUPAC Name: ethane-1,1-diol; mercury; tris(2-methylphenyl)phosphanium Traditional Name: ethane-1,1-diol; mercury; tris-o-tolylphosphonium Formula: C50H68Hg2O8P2+2 MolecularWeight: 1260.197642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[Hg].[Hg]

Isomeric SMILES

CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[Hg].[Hg]

InChI

InChI=1S/2C21H21P.4C2H6O2.2Hg/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;4*1-2(3)4;;/h2*4-15H,1-3H3;4*2-4H,1H3;;/p+2