4-(8-bromanylphenoxathiin-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(8-bromanylphenoxathiin-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(8-bromophenoxathiin-3-yl)-4-oxo-butanoic acid CAS Name: 4-(8-bromo-3-phenoxathiinyl)-4-oxobutanoic acid IUPAC Name: 4-(8-bromophenoxathiin-3-yl)-4-oxobutanoic acid Traditional Name: 4-(8-bromophenoxathiin-3-yl)-4-keto-butyric acid Formula: C16H11BrO4S MolecularWeight: 379.22514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)CCC(=O)O)OC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C=C1C(=O)CCC(=O)O)OC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C16H11BrO4S/c17-10-2-4-12-15(8-10)22-14-5-1-9(7-13(14)21-12)11(18)3-6-16(19)20/h1-2,4-5,7-8H,3,6H2,(H,19,20)