(E)-3-(phenylsulfonyl)prop-2-enoic acid tetrahydrate

Systemtic Name: (E)-3-(phenylsulfonyl)prop-2-enoic acid tetrahydrate Openeye Name: (E)-3-(benzenesulfonyl)prop-2-enoic acid tetrahydrate CAS Name: (E)-3-(benzenesulfonyl)-2-propenoic acid tetrahydrate IUPAC Name: (E)-3-(benzenesulfonyl)prop-2-enoic acid tetrahydrate Traditional Name: (E)-3-besylacrylic acid tetrahydrate Formula: C9H16O8S MolecularWeight: 284.28354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C=CC(=O)O.O.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)O.O.O.O.O

InChI

InChI=1S/C9H8O4S.4H2O/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;;;;/h1-7H,(H,10,11);4*1H2/b7-6+;;;;