(E)-3-phenylsulfanylprop-2-enoic acid trihydrate

Systemtic Name: (E)-3-phenylsulfanylprop-2-enoic acid trihydrate Openeye Name: (E)-3-phenylsulfanylprop-2-enoic acid trihydrate CAS Name: (E)-3-(phenylthio)-2-propenoic acid trihydrate IUPAC Name: (E)-3-phenylsulfanylprop-2-enoic acid trihydrate Traditional Name: (E)-3-(phenylthio)acrylic acid trihydrate Formula: C9H14O5S MolecularWeight: 234.26946

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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/b7-6+;;;