ethyl (E,5S,6R)-2-methyl-5,6,7-tris(oxidanyl)hept-2-enoate

Systemtic Name: ethyl (E,5S,6R)-2-methyl-5,6,7-tris(oxidanyl)hept-2-enoate Openeye Name: ethyl (E,5S,6R)-5,6,7-trihydroxy-2-methyl-hept-2-enoate CAS Name: (E,5S,6R)-5,6,7-trihydroxy-2-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,5S,6R)-5,6,7-trihydroxy-2-methylhept-2-enoate Traditional Name: (E,5S,6R)-5,6,7-trihydroxy-2-methyl-hept-2-enoic acid ethyl ester Formula: C10H18O5 MolecularWeight: 218.24692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C(CO)O)O)C

Isomeric SMILES

CCOC(=O)/C(=C/C[C@@H]([C@@H](CO)O)O)/C

InChI

InChI=1S/C10H18O5/c1-3-15-10(14)7(2)4-5-8(12)9(13)6-11/h4,8-9,11-13H,3,5-6H2,1-2H3/b7-4+/t8-,9+/m0/s1