2-heptyl-12-methyl-tridecanoic acid

Systemtic Name: 2-heptyl-12-methyl-tridecanoic acid Openeye Name: 2-heptyl-12-methyl-tridecanoic acid CAS Name: 2-heptyl-12-methyltridecanoic acid IUPAC Name: 2-heptyl-12-methyltridecanoic acid Traditional Name: 2-heptyl-12-methyl-tridecanoic acid Formula: C21H42O2 MolecularWeight: 326.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCC(CCCCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C21H42O2/c1-4-5-6-10-14-17-20(21(22)23)18-15-12-9-7-8-11-13-16-19(2)3/h19-20H,4-18H2,1-3H3,(H,22,23)