2-(7-bromanylphenoxathiin-2-yl)butanoic acid

Systemtic Name: 2-(7-bromanylphenoxathiin-2-yl)butanoic acid Openeye Name: 2-(7-bromophenoxathiin-2-yl)butanoic acid CAS Name: 2-(7-bromo-2-phenoxathiinyl)butanoic acid IUPAC Name: 2-(7-bromophenoxathiin-2-yl)butanoic acid Traditional Name: 2-(7-bromophenoxathiin-2-yl)butyric acid Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC3=C(S2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OC3=C(S2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C16H13BrO3S/c1-2-11(16(18)19)9-3-5-12-15(7-9)21-14-6-4-10(17)8-13(14)20-12/h3-8,11H,2H2,1H3,(H,18,19)