5-[1-bromanyl-2-oxidanyl-1-(3-phenylpropanoyloxy)ethyl]-1,3-dioxolane-4-carboxylic acid

Systemtic Name: 5-[1-bromanyl-2-oxidanyl-1-(3-phenylpropanoyloxy)ethyl]-1,3-dioxolane-4-carboxylic acid Openeye Name: 5-[1-bromo-2-hydroxy-1-(3-phenylpropanoyloxy)ethyl]-1,3-dioxolane-4-carboxylic acid CAS Name: 5-[1-bromo-2-hydroxy-1-(1-oxo-3-phenylpropoxy)ethyl]-1,3-dioxolane-4-carboxylic acid IUPAC Name: 5-[1-bromo-2-hydroxy-1-(3-phenylpropanoyloxy)ethyl]-1,3-dioxolane-4-carboxylic acid Traditional Name: 5-(1-bromo-1-hydrocinnamoyloxy-2-hydroxy-ethyl)-1,3-dioxolane-4-carboxylic acid Formula: C15H17BrO7 MolecularWeight: 389.19528

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Descriptors Computed from Structure

Canonical SMILES:

C1OC(C(O1)C(CO)(OC(=O)CCC2=CC=CC=C2)Br)C(=O)O

Isomeric SMILES

C1OC(C(O1)C(CO)(OC(=O)CCC2=CC=CC=C2)Br)C(=O)O

InChI

InChI=1S/C15H17BrO7/c16-15(8-17,13-12(14(19)20)21-9-22-13)23-11(18)7-6-10-4-2-1-3-5-10/h1-5,12-13,17H,6-9H2,(H,19,20)