3-dodecan-2-ylsulfanyl-5-[2-[2-(3-dodecan-2-ylsulfanyl-4-methyl-5-oxidanyl-5-oxidanylidene-pentoxy)ethoxy]ethoxy]-2-methyl-pentanoic acid

Systemtic Name: 3-dodecan-2-ylsulfanyl-5-[2-[2-(3-dodecan-2-ylsulfanyl-4-methyl-5-oxidanyl-5-oxidanylidene-pentoxy)ethoxy]ethoxy]-2-methyl-pentanoic acid Openeye Name: 5-[2-[2-[5-hydroxy-4-methyl-3-(1-methylundecylsulfanyl)-5-oxo-pentoxy]ethoxy]ethoxy]-2-methyl-3-(1-methylundecylsulfanyl)pentanoic acid CAS Name: 3-(dodecan-2-ylthio)-5-[2-[2-[3-(dodecan-2-ylthio)-5-hydroxy-4-methyl-5-oxopentoxy]ethoxy]ethoxy]-2-methylpentanoic acid IUPAC Name: 3-dodecan-2-ylsulfanyl-5-[2-[2-(3-dodecan-2-ylsulfanyl-5-hydroxy-4-methyl-5-oxopentoxy)ethoxy]ethoxy]-2-methylpentanoic acid Traditional Name: 5-[2-[2-[5-hydroxy-5-keto-4-methyl-3-(1-methylundecylthio)pentoxy]ethoxy]ethoxy]-2-methyl-3-(1-methylundecylthio)valeric acid Formula: C40H78O7S2 MolecularWeight: 735.17312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC(CCOCCOCCOCCC(C(C)C(=O)O)SC(C)CCCCCCCCCC)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)SC(CCOCCOCCOCCC(C(C)C(=O)O)SC(C)CCCCCCCCCC)C(C)C(=O)O

InChI

InChI=1S/C40H78O7S2/c1-7-9-11-13-15-17-19-21-23-33(3)48-37(35(5)39(41)42)25-27-45-29-31-47-32-30-46-28-26-38(36(6)40(43)44)49-34(4)24-22-20-18-16-14-12-10-8-2/h33-38H,7-32H2,1-6H3,(H,41,42)(H,43,44)