(3S)-3,6-dimethylheptanoate

Systemtic Name: (3S)-3,6-dimethylheptanoate Openeye Name: (3S)-3,6-dimethylheptanoate CAS Name: (3S)-3,6-dimethylheptanoate IUPAC Name: (3S)-3,6-dimethylheptanoate Traditional Name: (3S)-3,6-dimethylenanthate Formula: C9H17O2- MolecularWeight: 157.23008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CCC(C)C)CC(=O)[O-]

InChI

InChI=1S/C9H18O2/c1-7(2)4-5-8(3)6-9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/p-1/t8-/m0/s1