(3S,4R,5S,7R)-8-(3-bromanyl-5-phenylmethoxy-phenyl)-5-methoxy-3,7-dimethyl-oct-1-en-4-ol

Systemtic Name: (3S,4R,5S,7R)-8-(3-bromanyl-5-phenylmethoxy-phenyl)-5-methoxy-3,7-dimethyl-oct-1-en-4-ol Openeye Name: (3S,4R,5S,7R)-8-(3-benzyloxy-5-bromo-phenyl)-5-methoxy-3,7-dimethyl-oct-1-en-4-ol CAS Name: (3S,4R,5S,7R)-8-(3-bromo-5-phenylmethoxyphenyl)-5-methoxy-3,7-dimethyl-1-octen-4-ol IUPAC Name: (3S,4R,5S,7R)-8-(3-bromo-5-phenylmethoxyphenyl)-5-methoxy-3,7-dimethyloct-1-en-4-ol Traditional Name: (3S,4R,5S,7R)-8-(3-benzoxy-5-bromo-phenyl)-5-methoxy-3,7-dimethyl-oct-1-en-4-ol Formula: C24H31BrO3 MolecularWeight: 447.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)Br)OCC2=CC=CC=C2)CC(C(C(C)C=C)O)OC

Isomeric SMILES

C[C@H](CC1=CC(=CC(=C1)Br)OCC2=CC=CC=C2)C[C@@H]([C@@H]([C@@H](C)C=C)O)OC

InChI

InChI=1S/C24H31BrO3/c1-5-18(3)24(26)23(27-4)12-17(2)11-20-13-21(25)15-22(14-20)28-16-19-9-7-6-8-10-19/h5-10,13-15,17-18,23-24,26H,1,11-12,16H2,2-4H3/t17-,18+,23+,24-/m1/s1