2-methyl-3-(2-sulfanylpropyl)nonanoic acid

Systemtic Name: 2-methyl-3-(2-sulfanylpropyl)nonanoic acid Openeye Name: 2-methyl-3-(2-sulfanylpropyl)nonanoic acid CAS Name: 3-(2-mercaptopropyl)-2-methylnonanoic acid IUPAC Name: 2-methyl-3-(2-sulfanylpropyl)nonanoic acid Traditional Name: 3-(2-mercaptopropyl)-2-methyl-pelargonic acid Formula: C13H26O2S MolecularWeight: 246.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C)S)C(C)C(=O)O

Isomeric SMILES

CCCCCCC(CC(C)S)C(C)C(=O)O

InChI

InChI=1S/C13H26O2S/c1-4-5-6-7-8-12(9-10(2)16)11(3)13(14)15/h10-12,16H,4-9H2,1-3H3,(H,14,15)