[(1R,2S,4R)-1-acetyloxy-4-bromanyl-1,2,3,4-tetrahydrochrysen-2-yl] ethanoate

Systemtic Name: [(1R,2S,4R)-1-acetyloxy-4-bromanyl-1,2,3,4-tetrahydrochrysen-2-yl] ethanoate Openeye Name: [(1R,2S,4R)-1-acetoxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl] acetate CAS Name: acetic acid [(1R,2S,4R)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl] ester IUPAC Name: [(1R,2S,4R)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl] acetate Traditional Name: acetic acid [(1R,2S,4R)-1-acetoxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl] ester Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2=C(C1OC(=O)C)C=CC3=C2C=CC4=CC=CC=C43)Br

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C2=C([C@H]1OC(=O)C)C=CC3=C2C=CC4=CC=CC=C43)Br

InChI

InChI=1S/C22H19BrO4/c1-12(24)26-20-11-19(23)21-17-8-7-14-5-3-4-6-15(14)16(17)9-10-18(21)22(20)27-13(2)25/h3-10,19-20,22H,11H2,1-2H3/t19-,20+,22-/m1/s1