2-[[4-(4-bromanylphenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid

Systemtic Name: 2-[[4-(4-bromanylphenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 2-[[4-(4-bromophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-[[[4-(4-bromophenoxy)phenyl]thio]methyl]-4-oxanecarboxylic acid IUPAC Name: 2-[[4-(4-bromophenoxy)phenyl]sulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 2-[[[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:

C1COC(CC1C(=O)O)CSC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC(CC1C(=O)O)CSC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

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