(E)-3-(3-oxidanyl-4-sulfooxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-oxidanyl-4-sulfooxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-hydroxy-4-sulfooxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-hydroxy-4-sulfooxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-hydroxy-4-sulfooxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-hydroxy-4-sulfoxy-phenyl)acrylic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+