(3R,6R)-6-[2-bromanyl-5-(methoxymethoxy)-4-methyl-phenyl]-2-methyl-heptane-2,3-diol

Systemtic Name: (3R,6R)-6-[2-bromanyl-5-(methoxymethoxy)-4-methyl-phenyl]-2-methyl-heptane-2,3-diol Openeye Name: (3R,6R)-6-[2-bromo-5-(methoxymethoxy)-4-methyl-phenyl]-2-methyl-heptane-2,3-diol CAS Name: (3R,6R)-6-[2-bromo-5-(methoxymethoxy)-4-methylphenyl]-2-methylheptane-2,3-diol IUPAC Name: (3R,6R)-6-[2-bromo-5-(methoxymethoxy)-4-methylphenyl]-2-methylheptane-2,3-diol Traditional Name: (3R,6R)-6-[2-bromo-5-(methoxymethoxy)-4-methyl-phenyl]-2-methyl-heptane-2,3-diol Formula: C17H27BrO4 MolecularWeight: 375.29788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)Br)C(C)CCC(C(C)(C)O)O)OCOC

Isomeric SMILES

CC1=C(C=C(C(=C1)Br)[C@H](C)CC[C@H](C(C)(C)O)O)OCOC

InChI

InChI=1S/C17H27BrO4/c1-11(6-7-16(19)17(3,4)20)13-9-15(22-10-21-5)12(2)8-14(13)18/h8-9,11,16,19-20H,6-7,10H2,1-5H3/t11-,16-/m1/s1