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

Systemtic Name: dimethyl (E,2R)-6-methylidene-2-[(1R,2S)-2-methyl-1-oxidanyl-butyl]non-3-enedioate Openeye Name: dimethyl (E,2R)-2-[(1R,2S)-1-hydroxy-2-methyl-butyl]-6-methylene-non-3-enedioate CAS Name: (E,2R)-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-6-methylene-3-nonenedioic acid dimethyl ester IUPAC Name: dimethyl (E,2R)-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-6-methylidenenon-3-enedioate Traditional Name: (E,2R)-2-[(1R,2S)-1-hydroxy-2-methyl-butyl]-6-methylene-non-3-enedioic acid dimethyl ester Formula: C17H28O5 MolecularWeight: 312.40122

Click to see the large picture

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/CC(=C)CCC(=O)OC)C(=O)OC)O

InChI

InChI=1S/C17H28O5/c1-6-13(3)16(19)14(17(20)22-5)9-7-8-12(2)10-11-15(18)21-4/h7,9,13-14,16,19H,2,6,8,10-11H2,1,3-5H3/b9-7+/t13-,14+,16+/m0/s1