1-bromanyl-3-[4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenoxy]propan-2-one

Systemtic Name: 1-bromanyl-3-[4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenoxy]propan-2-one Openeye Name: 1-bromo-3-[4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenoxy]propan-2-one CAS Name: 1-bromo-3-[4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenoxy]-2-propanone IUPAC Name: 1-bromo-3-[4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenoxy]propan-2-one Traditional Name: 1-bromo-3-[4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenoxy]acetone Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)OCC(=O)CBr

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)OCC(=O)CBr

InChI

InChI=1S/C21H25BrO3/c1-3-20(15-5-9-17(23)10-6-15)21(4-2)16-7-11-19(12-8-16)25-14-18(24)13-22/h5-12,20-21,23H,3-4,13-14H2,1-2H3/t20-,21+/m1/s1