bismuth (E)-2-chloranyl-3-(phenylsulfonyl)prop-2-enoate hexahydrate

Systemtic Name: bismuth (E)-2-chloranyl-3-(phenylsulfonyl)prop-2-enoate hexahydrate Openeye Name: bismuth (E)-3-(benzenesulfonyl)-2-chloro-prop-2-enoate hexahydrate CAS Name: bismuth (E)-3-(benzenesulfonyl)-2-chloro-2-propenoate hexahydrate IUPAC Name: bismuth (E)-3-(benzenesulfonyl)-2-chloroprop-2-enoate hexahydrate Traditional Name: bismuth (E)-3-besyl-2-chloro-acrylate hexahydrate Formula: C18H24BiCl2O14S2+ MolecularWeight: 808.39114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C=C(C(=O)[O-])Cl.C1=CC=C(C=C1)S(=O)(=O)C=C(C(=O)[O-])Cl.O.O.O.O.O.O.[Bi+3]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C=C(/Cl)\C(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)/C=C(/Cl)\C(=O)[O-].O.O.O.O.O.O.[Bi+3]

InChI

InChI=1S/2C9H7ClO4S.Bi.6H2O/c2*10-8(9(11)12)6-15(13,14)7-4-2-1-3-5-7;;;;;;;/h2*1-6H,(H,11,12);;6*1H2/q;;+3;;;;;;/p-2/b2*8-6+;;;;;;;