2-(1-acetyloxy-3-chloranyl-pentyl)-3-methyl-butanedioic acid

Systemtic Name: 2-(1-acetyloxy-3-chloranyl-pentyl)-3-methyl-butanedioic acid Openeye Name: 2-(1-acetoxy-3-chloro-pentyl)-3-methyl-butanedioic acid CAS Name: 2-(1-acetyloxy-3-chloropentyl)-3-methylbutanedioic acid IUPAC Name: 2-(1-acetyloxy-3-chloropentyl)-3-methylbutanedioic acid Traditional Name: 2-(1-acetoxy-3-chloro-pentyl)-3-methyl-succinic acid Formula: C12H19ClO6 MolecularWeight: 294.72866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19ClO6/c1-4-8(13)5-9(19-7(3)14)10(12(17)18)6(2)11(15)16/h6,8-10H,4-5H2,1-3H3,(H,15,16)(H,17,18)