4-[[4-(4-bromanylphenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-(4-bromanylphenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-(4-bromophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[[4-(4-bromophenoxy)phenyl]thio]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-(4-bromophenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[[4-(4-bromophenoxy)phenyl]thio]methyl]tetrahydropyran-4-carboxylic acid Formula: C19H19BrO4S MolecularWeight: 423.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CSC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1COCCC1(CSC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H19BrO4S/c20-14-1-3-15(4-2-14)24-16-5-7-17(8-6-16)25-13-19(18(21)22)9-11-23-12-10-19/h1-8H,9-13H2,(H,21,22)