3-(4-bromanylthiophen-3-yl)prop-2-ynyl hydrogen sulfate

Systemtic Name: 3-(4-bromanylthiophen-3-yl)prop-2-ynyl hydrogen sulfate Openeye Name: 3-(4-bromo-3-thienyl)prop-2-ynyl hydrogen sulfate CAS Name: sulfuric acid 3-(4-bromo-3-thiophenyl)prop-2-ynyl ester IUPAC Name: 3-(4-bromothiophen-3-yl)prop-2-ynyl hydrogen sulfate Traditional Name: sulfuric acid 3-(4-bromo-3-thienyl)prop-2-ynyl ester Formula: C7H5BrO4S2 MolecularWeight: 297.1462

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CS1)Br)C#CCOS(=O)(=O)O

Isomeric SMILES

C1=C(C(=CS1)Br)C#CCOS(=O)(=O)O

InChI

InChI=1S/C7H5BrO4S2/c8-7-5-13-4-6(7)2-1-3-12-14(9,10)11/h4-5H,3H2,(H,9,10,11)