bismuth (E)-3-phenylsulfanylprop-2-enoate trihydrate

Systemtic Name: bismuth (E)-3-phenylsulfanylprop-2-enoate trihydrate Openeye Name: bismuth (E)-3-phenylsulfanylprop-2-enoate trihydrate CAS Name: bismuth (E)-3-(phenylthio)-2-propenoate trihydrate IUPAC Name: bismuth (E)-3-phenylsulfanylprop-2-enoate trihydrate Traditional Name: bismuth (E)-3-(phenylthio)acrylate trihydrate Formula: C27H27BiO9S3 MolecularWeight: 800.67326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)[O-].C1=CC=C(C=C1)SC=CC(=O)[O-].C1=CC=C(C=C1)SC=CC(=O)[O-].O.O.O.[Bi+3]

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)[O-].C1=CC=C(C=C1)S/C=C/C(=O)[O-].C1=CC=C(C=C1)S/C=C/C(=O)[O-].O.O.O.[Bi+3]

InChI

InChI=1S/3C9H8O2S.Bi.3H2O/c3*10-9(11)6-7-12-8-4-2-1-3-5-8;;;;/h3*1-7H,(H,10,11);;3*1H2/q;;;+3;;;/p-3/b3*7-6+;;;;