(3aR,8bR)-7-bromanyl-1-(hydroxymethyl)-2-oxidanyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-carboxylic acid

Systemtic Name: (3aR,8bR)-7-bromanyl-1-(hydroxymethyl)-2-oxidanyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-carboxylic acid Openeye Name: (3aR,8bR)-7-bromo-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-carboxylic acid CAS Name: (3aR,8bR)-7-bromo-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-carboxylic acid IUPAC Name: (3aR,8bR)-7-bromo-2-hydroxy-1-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-carboxylic acid Traditional Name: (3aR,8bR)-7-bromo-2-hydroxy-1-methylol-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-carboxylic acid Formula: C13H13BrO5 MolecularWeight: 329.14332

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2C1OC3=C2C=C(C=C3C(=O)O)Br)CO)O

Isomeric SMILES

C1[C@@H]2[C@H](C(C1O)CO)C3=C(O2)C(=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C13H13BrO5/c14-5-1-6-11-8(4-15)9(16)3-10(11)19-12(6)7(2-5)13(17)18/h1-2,8-11,15-16H,3-4H2,(H,17,18)/t8?,9?,10-,11+/m1/s1