dimethyl (E,2R,6R)-6-methyl-2-[(1R,2S)-2-methyl-1-oxidanyl-butyl]non-3-enedioate

Systemtic Name: dimethyl (E,2R,6R)-6-methyl-2-[(1R,2S)-2-methyl-1-oxidanyl-butyl]non-3-enedioate Openeye Name: dimethyl (E,2R,6R)-2-[(1R,2S)-1-hydroxy-2-methyl-butyl]-6-methyl-non-3-enedioate CAS Name: (E,2R,6R)-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-6-methyl-3-nonenedioic acid dimethyl ester IUPAC Name: dimethyl (E,2R,6R)-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-6-methylnon-3-enedioate Traditional Name: (E,2R,6R)-2-[(1R,2S)-1-hydroxy-2-methyl-butyl]-6-methyl-non-3-enedioic acid dimethyl ester Formula: C17H30O5 MolecularWeight: 314.4171

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C=CCC(C)CCC(=O)OC)C(=O)OC)O

Isomeric SMILES

CC[C@H](C)[C@H]([C@@H](/C=C/C[C@H](C)CCC(=O)OC)C(=O)OC)O

InChI

InChI=1S/C17H30O5/c1-6-13(3)16(19)14(17(20)22-5)9-7-8-12(2)10-11-15(18)21-4/h7,9,12-14,16,19H,6,8,10-11H2,1-5H3/b9-7+/t12-,13-,14+,16+/m0/s1