2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]sulfanyl-8-methyl-2-(6-methylheptoxy)nonanoic acid

Systemtic Name: 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]sulfanyl-8-methyl-2-(6-methylheptoxy)nonanoic acid Openeye Name: 2-(1,2-dihydroxy-2-oxo-ethyl)sulfanyl-8-methyl-2-(6-methylheptoxy)nonanoic acid CAS Name: 2-[(1,2-dihydroxy-2-oxoethyl)thio]-8-methyl-2-(6-methylheptoxy)nonanoic acid IUPAC Name: 2-(1,2-dihydroxy-2-oxoethyl)sulfanyl-8-methyl-2-(6-methylheptoxy)nonanoic acid Traditional Name: 2-[(1,2-dihydroxy-2-keto-ethyl)thio]-8-methyl-2-(6-methylheptoxy)pelargonic acid Formula: C20H38O6S MolecularWeight: 406.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(C(=O)O)(OCCCCCC(C)C)SC(C(=O)O)O

Isomeric SMILES

CC(C)CCCCCC(C(=O)O)(OCCCCCC(C)C)SC(C(=O)O)O

InChI

InChI=1S/C20H38O6S/c1-15(2)11-7-5-9-13-20(19(24)25,27-18(23)17(21)22)26-14-10-6-8-12-16(3)4/h15-16,18,23H,5-14H2,1-4H3,(H,21,22)(H,24,25)