S-(4-ethynylphenyl) ethanethioate; platinum(2+); triphenylphosphanium

Systemtic Name: S-(4-ethynylphenyl) ethanethioate; platinum(2+); triphenylphosphanium Openeye Name: S-(4-ethynylphenyl) ethanethioate; platinum(2+); triphenylphosphonium CAS Name: ethanethioic acid S-(4-ethynylphenyl) ester; platinum(2+); triphenylphosphonium IUPAC Name: S-(4-ethynylphenyl) ethanethioate; platinum(2+); triphenylphosphanium Traditional Name: ethanethioic acid S-(4-ethynylphenyl) ester; platinum(2+); triphenylphosphonium Formula: C56H46O2P2PtS2+2 MolecularWeight: 1072.118762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#[C-].CC(=O)SC1=CC=C(C=C1)C#[C-].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.[Pt+2]

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#[C-].CC(=O)SC1=CC=C(C=C1)C#[C-].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.[Pt+2]

InChI

InChI=1S/2C18H15P.2C10H7OS.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-4-6-10(7-5-9)12-8(2)11;/h2*1-15H;2*4-7H,2H3;/q;;2*-1;+2/p+2