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

Systemtic Name: (E)-3-phenylsulfanylprop-2-enoate hydrate Openeye Name: (E)-3-phenylsulfanylprop-2-enoate hydrate CAS Name: (E)-3-(phenylthio)-2-propenoate hydrate IUPAC Name: (E)-3-phenylsulfanylprop-2-enoate hydrate Traditional Name: (E)-3-(phenylthio)acrylate hydrate Formula: C9H9O3S- MolecularWeight: 197.23096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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