2-(pyridin-4-ylmethylsulfanyl)benzoate; triphenylstannanylium

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)benzoate; triphenylstannanylium Openeye Name: 2-(4-pyridylmethylsulfanyl)benzoate; triphenylstannanylium CAS Name: 2-(pyridin-4-ylmethylthio)benzoate; triphenylstannanylium IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)benzoate; triphenylstannanylium Traditional Name: 2-(4-pyridylmethylthio)benzoate; triphenylstannanylium Formula: C31H25NO2SSn MolecularWeight: 594.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=NC=C2

InChI

InChI=1S/C13H11NO2S.3C6H5.Sn/c15-13(16)11-3-1-2-4-12(11)17-9-10-5-7-14-8-6-10;3*1-2-4-6-5-3-1;/h1-8H,9H2,(H,15,16);3*1-5H;/q;;;;+1/p-1