dimethyl 2-[(E,3S,4R)-4,8,8-trimethyl-5-oxidanylidene-non-6-en-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(E,3S,4R)-4,8,8-trimethyl-5-oxidanylidene-non-6-en-3-yl]propanedioate Openeye Name: dimethyl 2-[(E,1S,2R)-1-ethyl-2,6,6-trimethyl-3-oxo-hept-4-enyl]propanedioate CAS Name: 2-[(E,3S,4R)-4,8,8-trimethyl-5-oxonon-6-en-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E,3S,4R)-4,8,8-trimethyl-5-oxonon-6-en-3-yl]propanedioate Traditional Name: 2-[(E,1S,2R)-1-ethyl-3-keto-2,6,6-trimethyl-hept-4-enyl]malonic acid dimethyl ester Formula: C17H28O5 MolecularWeight: 312.40122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O5/c1-8-12(14(15(19)21-6)16(20)22-7)11(2)13(18)9-10-17(3,4)5/h9-12,14H,8H2,1-7H3/b10-9+/t11-,12+/m1/s1