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

Systemtic Name: 4-bromanyl-2-(2-phenyloxan-4-yl)benzenesulfonic acid Openeye Name: 4-bromo-2-(2-phenyltetrahydropyran-4-yl)benzenesulfonic acid CAS Name: 4-bromo-2-(2-phenyl-4-oxanyl)benzenesulfonic acid IUPAC Name: 4-bromo-2-(2-phenyloxan-4-yl)benzenesulfonic acid Traditional Name: 4-bromo-2-(2-phenyltetrahydropyran-4-yl)besylic acid Formula: C17H17BrO4S MolecularWeight: 397.28348

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C2=C(C=CC(=C2)Br)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1COC(CC1C2=C(C=CC(=C2)Br)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17BrO4S/c18-14-6-7-17(23(19,20)21)15(11-14)13-8-9-22-16(10-13)12-4-2-1-3-5-12/h1-7,11,13,16H,8-10H2,(H,19,20,21)