(2R,3S)-4-[(4-bromophenyl)methoxy]-2-hept-1-ynyl-butane-1,3-diol

Systemtic Name: (2R,3S)-4-[(4-bromophenyl)methoxy]-2-hept-1-ynyl-butane-1,3-diol Openeye Name: (2R,3S)-4-[(4-bromophenyl)methoxy]-2-hept-1-ynyl-butane-1,3-diol CAS Name: (2R,3S)-4-[(4-bromophenyl)methoxy]-2-hept-1-ynylbutane-1,3-diol IUPAC Name: (2R,3S)-4-[(4-bromophenyl)methoxy]-2-hept-1-ynylbutane-1,3-diol Traditional Name: (2R,3S)-4-(4-bromobenzyl)oxy-2-hept-1-ynyl-butane-1,3-diol Formula: C18H25BrO3 MolecularWeight: 369.2933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(CO)C(COCC1=CC=C(C=C1)Br)O

Isomeric SMILES

CCCCCC#C[C@H](CO)[C@@H](COCC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C18H25BrO3/c1-2-3-4-5-6-7-16(12-20)18(21)14-22-13-15-8-10-17(19)11-9-15/h8-11,16,18,20-21H,2-5,12-14H2,1H3/t16-,18-/m1/s1