[2-methyl-5-(phenylmethylsulfanyl)-1,3-oxazol-4-yl]-triphenyl-phosphanium perchlorate

Systemtic Name: [2-methyl-5-(phenylmethylsulfanyl)-1,3-oxazol-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: (5-benzylsulfanyl-2-methyl-oxazol-4-yl)-triphenyl-phosphonium perchlorate CAS Name: [2-methyl-5-(phenylmethylthio)-4-oxazolyl]-triphenylphosphonium perchlorate IUPAC Name: (5-benzylsulfanyl-2-methyl-1,3-oxazol-4-yl)-triphenylphosphanium perchlorate Traditional Name: [5-(benzylthio)-2-methyl-oxazol-4-yl]-triphenyl-phosphonium perchlorate Formula: C29H25ClNO5PS MolecularWeight: 566.004261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)SCC2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NC(=C(O1)SCC2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H25NOPS.ClHO4/c1-23-30-28(29(31-23)33-22-24-14-6-2-7-15-24)32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;2-1(3,4)5/h2-21H,22H2,1H3;(H,2,3,4,5)/q+1;/p-1