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

Systemtic Name: methyl 2-[(3R,4aR)-5-bromanyl-8-methoxy-9-oxidanyl-1-oxidanylidene-2,3,4,4a-tetrahydrofluoren-3-yl]ethanoate Openeye Name: methyl 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetate CAS Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3R,4aR)-5-bromo-9-hydroxy-8-methoxy-1-oxo-2,3,4,4a-tetrahydrofluoren-3-yl]acetate Traditional Name: 2-[(3R,4aR)-5-bromo-9-hydroxy-1-keto-8-methoxy-2,3,4,4a-tetrahydrofluoren-3-yl]acetic acid methyl ester Formula: C17H17BrO5 MolecularWeight: 381.21788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO5/c1-22-12-4-3-10(18)14-9-5-8(7-13(20)23-2)6-11(19)15(9)17(21)16(12)14/h3-4,8-9,21H,5-7H2,1-2H3/t8-,9+/m1/s1