(E)-2-chloranyl-3-(phenylsulfonyl)prop-2-enoic acid hexahydrate

Systemtic Name: (E)-2-chloranyl-3-(phenylsulfonyl)prop-2-enoic acid hexahydrate Openeye Name: (E)-3-(benzenesulfonyl)-2-chloro-prop-2-enoic acid hexahydrate CAS Name: (E)-3-(benzenesulfonyl)-2-chloro-2-propenoic acid hexahydrate IUPAC Name: (E)-3-(benzenesulfonyl)-2-chloroprop-2-enoic acid hexahydrate Traditional Name: (E)-3-besyl-2-chloro-acrylic acid hexahydrate Formula: C9H19ClO10S MolecularWeight: 354.75916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClO4S.6H2O/c10-8(9(11)12)6-15(13,14)7-4-2-1-3-5-7;;;;;;/h1-6H,(H,11,12);6*1H2/b8-6+;;;;;;