gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphanium

Systemtic Name: gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphanium Openeye Name: gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphonium CAS Name: gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphonium IUPAC Name: gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphanium Traditional Name: gold; gold(1+); 4-methylbenzenethiolate; triphenylphosphonium Formula: C86H78Au4P4S2+4 MolecularWeight: 2087.430764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au].[Au].[Au+].[Au+]

Isomeric SMILES

CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au].[Au].[Au+].[Au+]

InChI

InChI=1S/4C18H15P.2C7H8S.4Au/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-6-2-4-7(8)5-3-6;;;;/h4*1-15H;2*2-5,8H,1H3;;;;/q;;;;;;;;2*+1/p+2