4-bromanyl-2-(2-ethyloxan-4-yl)benzenesulfonic acid

Systemtic Name: 4-bromanyl-2-(2-ethyloxan-4-yl)benzenesulfonic acid Openeye Name: 4-bromo-2-(2-ethyltetrahydropyran-4-yl)benzenesulfonic acid CAS Name: 4-bromo-2-(2-ethyl-4-oxanyl)benzenesulfonic acid IUPAC Name: 4-bromo-2-(2-ethyloxan-4-yl)benzenesulfonic acid Traditional Name: 4-bromo-2-(2-ethyltetrahydropyran-4-yl)besylic acid Formula: C13H17BrO4S MolecularWeight: 349.24068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCO1)C2=C(C=CC(=C2)Br)S(=O)(=O)O

Isomeric SMILES

CCC1CC(CCO1)C2=C(C=CC(=C2)Br)S(=O)(=O)O

InChI

InChI=1S/C13H17BrO4S/c1-2-11-7-9(5-6-18-11)12-8-10(14)3-4-13(12)19(15,16)17/h3-4,8-9,11H,2,5-7H2,1H3,(H,15,16,17)