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

Systemtic Name: zinc (E)-3-(phenylsulfonyl)prop-2-enoate tetrahydrate Openeye Name: zinc (E)-3-(benzenesulfonyl)prop-2-enoate tetrahydrate CAS Name: zinc (E)-3-(benzenesulfonyl)-2-propenoate tetrahydrate IUPAC Name: zinc (E)-3-(benzenesulfonyl)prop-2-enoate tetrahydrate Traditional Name: zinc (E)-3-besylacrylate tetrahydrate Formula: C18H22O12S2Zn MolecularWeight: 559.89908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C=CC(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)C=CC(=O)[O-].O.O.O.O.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)[O-].O.O.O.O.[Zn+2]

InChI

InChI=1S/2C9H8O4S.4H2O.Zn/c2*10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;;;;;/h2*1-7H,(H,10,11);4*1H2;/q;;;;;;+2/p-2/b2*7-6+;;;;;