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

Systemtic Name: (E)-3-phenylsulfanylprop-2-enoic acid hydrate Openeye Name: (E)-3-phenylsulfanylprop-2-enoic acid hydrate CAS Name: (E)-3-(phenylthio)-2-propenoic acid hydrate IUPAC Name: (E)-3-phenylsulfanylprop-2-enoic acid hydrate Traditional Name: (E)-3-(phenylthio)acrylic acid hydrate Formula: C9H10O3S MolecularWeight: 198.2389

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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/b7-6+;