methyl (3Z)-2-bromanyl-3-[methoxy(oxidanyl)methylidene]-2-tetradecyl-heptadecanoate

Systemtic Name: methyl (3Z)-2-bromanyl-3-[methoxy(oxidanyl)methylidene]-2-tetradecyl-heptadecanoate Openeye Name: methyl (3Z)-2-bromo-3-[hydroxy(methoxy)methylene]-2-tetradecyl-heptadecanoate CAS Name: (3Z)-2-bromo-3-[hydroxy(methoxy)methylidene]-2-tetradecylheptadecanoic acid methyl ester IUPAC Name: methyl (3Z)-2-bromo-3-[hydroxy(methoxy)methylidene]-2-tetradecylheptadecanoate Traditional Name: (Z)-2-bromo-4-hydroxy-4-methoxy-2,3-dimyristyl-but-3-enoic acid methyl ester Formula: C34H65BrO4 MolecularWeight: 617.7815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=C(O)OC)C(CCCCCCCCCCCCCC)(C(=O)OC)Br

Isomeric SMILES

CCCCCCCCCCCCCC/C(=C(\O)/OC)/C(CCCCCCCCCCCCCC)(C(=O)OC)Br

InChI

InChI=1S/C34H65BrO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32(36)38-3)34(35,33(37)39-4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36H,5-30H2,1-4H3/b32-31-