(E)-3-(phenylsulfonyl)prop-2-enoate tetrahydrate

Systemtic Name: (E)-3-(phenylsulfonyl)prop-2-enoate tetrahydrate Openeye Name: (E)-3-(benzenesulfonyl)prop-2-enoate tetrahydrate CAS Name: (E)-3-(benzenesulfonyl)-2-propenoate tetrahydrate IUPAC Name: (E)-3-(benzenesulfonyl)prop-2-enoate tetrahydrate Traditional Name: (E)-3-besylacrylate tetrahydrate Formula: C9H15O8S- MolecularWeight: 283.2756

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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/p-1/b7-6+;;;;