3-methyl-4-pentyl-hexanedioic acid

Systemtic Name: 3-methyl-4-pentyl-hexanedioic acid Openeye Name: 3-methyl-4-pentyl-hexanedioic acid CAS Name: 3-methyl-4-pentylhexanedioic acid IUPAC Name: 3-methyl-4-pentylhexanedioic acid Traditional Name: 3-amyl-4-methyl-adipic acid Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C(C)CC(=O)O

Isomeric SMILES

CCCCCC(CC(=O)O)C(C)CC(=O)O

InChI

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