(4S)-7-acetyloxy-4-methyl-nonanoic acid

Systemtic Name: (4S)-7-acetyloxy-4-methyl-nonanoic acid Openeye Name: (4S)-7-acetoxy-4-methyl-nonanoic acid CAS Name: (4S)-7-acetyloxy-4-methylnonanoic acid IUPAC Name: (4S)-7-acetyloxy-4-methylnonanoic acid Traditional Name: (4S)-7-acetoxy-4-methyl-pelargonic acid Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4/c1-4-11(16-10(3)13)7-5-9(2)6-8-12(14)15/h9,11H,4-8H2,1-3H3,(H,14,15)/t9-,11?/m0/s1