methyl (1S,3aR,9bS)-8-bromanyl-1-ethanoyl-1,3a,4,9b-tetrahydrocyclopenta[c]chromene-3-carboxylate

Systemtic Name: methyl (1S,3aR,9bS)-8-bromanyl-1-ethanoyl-1,3a,4,9b-tetrahydrocyclopenta[c]chromene-3-carboxylate Openeye Name: methyl (1S,3aR,9bS)-1-acetyl-8-bromo-1,3a,4,9b-tetrahydrocyclopenta[c]chromene-3-carboxylate CAS Name: (1S,3aR,9bS)-1-acetyl-8-bromo-1,3a,4,9b-tetrahydrocyclopenta[c][1]benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3aR,9bS)-1-acetyl-8-bromo-1,3a,4,9b-tetrahydrocyclopenta[c]chromene-3-carboxylate Traditional Name: (1S,3aR,9bS)-1-acetyl-8-bromo-1,3a,4,9b-tetrahydrocyclopenta[c]chromene-3-carboxylic acid methyl ester Formula: C16H15BrO4 MolecularWeight: 351.1919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C=C(C2C1C3=C(C=CC(=C3)Br)OC2)C(=O)OC

Isomeric SMILES

CC(=O)[C@H]1C=C([C@H]2[C@@H]1C3=C(C=CC(=C3)Br)OC2)C(=O)OC

InChI

InChI=1S/C16H15BrO4/c1-8(18)10-6-11(16(19)20-2)13-7-21-14-4-3-9(17)5-12(14)15(10)13/h3-6,10,13,15H,7H2,1-2H3/t10-,13+,15+/m1/s1