zinc (E)-3-phenylsulfanylprop-2-enoate hydrate

Systemtic Name: zinc (E)-3-phenylsulfanylprop-2-enoate hydrate Openeye Name: zinc (E)-3-phenylsulfanylprop-2-enoate hydrate CAS Name: zinc (E)-3-(phenylthio)-2-propenoate hydrate IUPAC Name: zinc (E)-3-phenylsulfanylprop-2-enoate hydrate Traditional Name: zinc (E)-3-(phenylthio)acrylate hydrate Formula: C18H16O5S2Zn MolecularWeight: 441.85564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)[O-].C1=CC=C(C=C1)SC=CC(=O)[O-].O.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)[O-].C1=CC=C(C=C1)S/C=C/C(=O)[O-].O.[Zn+2]

InChI

InChI=1S/2C9H8O2S.H2O.Zn/c2*10-9(11)6-7-12-8-4-2-1-3-5-8;;/h2*1-7H,(H,10,11);1H2;/q;;;+2/p-2/b2*7-6+;;