O1-ethyl O5-methyl (E)-2-(2-methyl-1-oxidanyl-propyl)-4-pentyl-pent-2-enedioate

Systemtic Name: O1-ethyl O5-methyl (E)-2-(2-methyl-1-oxidanyl-propyl)-4-pentyl-pent-2-enedioate Openeye Name: O1-ethyl O5-methyl (E)-2-(1-hydroxy-2-methyl-propyl)-4-pentyl-pent-2-enedioate CAS Name: (E)-2-(1-hydroxy-2-methylpropyl)-4-pentyl-2-pentenedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (E)-2-(1-hydroxy-2-methylpropyl)-4-pentylpent-2-enedioate Traditional Name: (E)-4-amyl-2-(1-hydroxy-2-methyl-propyl)pent-2-enedioic acid O1-ethyl ester O5-methyl ester Formula: C17H30O5 MolecularWeight: 314.4171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=C(C(C(C)C)O)C(=O)OCC)C(=O)OC

Isomeric SMILES

CCCCCC(/C=C(\C(C(C)C)O)/C(=O)OCC)C(=O)OC

InChI

InChI=1S/C17H30O5/c1-6-8-9-10-13(16(19)21-5)11-14(15(18)12(3)4)17(20)22-7-2/h11-13,15,18H,6-10H2,1-5H3/b14-11+