[2-[(2R,3S)-2-acetyloxy-3-bromanyl-octyl]phenyl] ethanoate

Systemtic Name: [2-[(2R,3S)-2-acetyloxy-3-bromanyl-octyl]phenyl] ethanoate Openeye Name: [2-[(2R,3S)-2-acetoxy-3-bromo-octyl]phenyl] acetate CAS Name: acetic acid [2-[(2R,3S)-2-acetyloxy-3-bromooctyl]phenyl] ester IUPAC Name: [2-[(2R,3S)-2-acetyloxy-3-bromooctyl]phenyl] acetate Traditional Name: acetic acid [2-[(2R,3S)-2-acetoxy-3-bromo-octyl]phenyl] ester Formula: C18H25BrO4 MolecularWeight: 385.2927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC1=CC=CC=C1OC(=O)C)OC(=O)C)Br

Isomeric SMILES

CCCCC[C@@H]([C@@H](CC1=CC=CC=C1OC(=O)C)OC(=O)C)Br

InChI

InChI=1S/C18H25BrO4/c1-4-5-6-10-16(19)18(23-14(3)21)12-15-9-7-8-11-17(15)22-13(2)20/h7-9,11,16,18H,4-6,10,12H2,1-3H3/t16-,18+/m0/s1