2-[(3R,4aR)-5-bromanyl-8-methoxy-9-oxidanyl-1-oxidanylidene-2,3,4,4a-tetrahydrofluoren-3-yl]ethanoic acid

Systemtic Name: 2-[(3R,4aR)-5-bromanyl-8-methoxy-9-oxidanyl-1-oxidanylidene-2,3,4,4a-tetrahydrofluoren-3-yl]ethanoic acid Openeye Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid CAS Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid IUPAC Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid Traditional Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-1-keto-8-methoxy-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid Formula: C16H15BrO5 MolecularWeight: 367.1913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Br)C3CC(CC(=O)C3=C2O)CC(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)Br)[C@@H]3C[C@H](CC(=O)C3=C2O)CC(=O)O

InChI

InChI=1S/C16H15BrO5/c1-22-11-3-2-9(17)13-8-4-7(6-12(19)20)5-10(18)14(8)16(21)15(11)13/h2-3,7-8,21H,4-6H2,1H3,(H,19,20)/t7-,8+/m1/s1