bismuth (E)-3-(phenylsulfonyl)prop-2-enoate pentahydrate

Systemtic Name: bismuth (E)-3-(phenylsulfonyl)prop-2-enoate pentahydrate Openeye Name: bismuth (E)-3-(benzenesulfonyl)prop-2-enoate pentahydrate CAS Name: bismuth (E)-3-(benzenesulfonyl)-2-propenoate pentahydrate IUPAC Name: bismuth (E)-3-(benzenesulfonyl)prop-2-enoate pentahydrate Traditional Name: bismuth (E)-3-besylacrylate pentahydrate Formula: C27H31BiO17S3 MolecularWeight: 932.70022

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

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

InChI

InChI=1S/3C9H8O4S.Bi.5H2O/c3*10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;;;;;;/h3*1-7H,(H,10,11);;5*1H2/q;;;+3;;;;;/p-3/b3*7-6+;;;;;;