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

Systemtic Name: (E)-3-phenylsulfanylprop-2-enoate trihydrate Openeye Name: (E)-3-phenylsulfanylprop-2-enoate trihydrate CAS Name: (E)-3-(phenylthio)-2-propenoate trihydrate IUPAC Name: (E)-3-phenylsulfanylprop-2-enoate trihydrate Traditional Name: (E)-3-(phenylthio)acrylate trihydrate Formula: C9H13O5S- MolecularWeight: 233.26152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O2S.3H2O/c10-9(11)6-7-12-8-4-2-1-3-5-8;;;/h1-7H,(H,10,11);3*1H2/p-1/b7-6+;;;