4-methylbenzenethiolate; 1-methyl-4-(1-phenylethenylsulfanyl)benzene; platinum(2+); triphenylphosphane

Systemtic Name: 4-methylbenzenethiolate; 1-methyl-4-(1-phenylethenylsulfanyl)benzene; platinum(2+); triphenylphosphane Openeye Name: 4-methylbenzenethiolate; 1-methyl-4-(1-phenylvinylsulfanyl)benzene; platinum(2+); triphenylphosphane CAS Name: 4-methylbenzenethiolate; 1-methyl-4-(1-phenylethenylthio)benzene; platinum(2+); triphenylphosphine IUPAC Name: 4-methylbenzenethiolate; 1-methyl-4-(1-phenylethenylsulfanyl)benzene; platinum(2+); triphenylphosphane Traditional Name: 4-methylbenzenethiolate; 1-methyl-4-(1-phenylvinylthio)benzene; platinum(2+); triphenylphosphine Formula: C58H50P2PtS2 MolecularWeight: 1068.173122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)SC(=[CH-])C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt+2]

Isomeric SMILES

CC1=CC=C(C=C1)[S-].CC1=CC=C(C=C1)SC(=[CH-])C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt+2]

InChI

InChI=1S/2C18H15P.C15H13S.C7H8S.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14;1-6-2-4-7(8)5-3-6;/h2*1-15H;2-11H,1H3;2-5,8H,1H3;/q;;-1;;+2/p-1