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

Systemtic Name: 3-dodecan-2-ylsulfanyl-5-(3-dodecan-2-ylsulfanyl-4-methyl-5-oxidanyl-5-oxidanylidene-pentoxy)-2-methyl-pentanoic acid Openeye Name: 5-[5-hydroxy-4-methyl-3-(1-methylundecylsulfanyl)-5-oxo-pentoxy]-2-methyl-3-(1-methylundecylsulfanyl)pentanoic acid CAS Name: 3-(dodecan-2-ylthio)-5-[3-(dodecan-2-ylthio)-5-hydroxy-4-methyl-5-oxopentoxy]-2-methylpentanoic acid IUPAC Name: 3-dodecan-2-ylsulfanyl-5-(3-dodecan-2-ylsulfanyl-5-hydroxy-4-methyl-5-oxopentoxy)-2-methylpentanoic acid Traditional Name: 5-[5-hydroxy-5-keto-4-methyl-3-(1-methylundecylthio)pentoxy]-2-methyl-3-(1-methylundecylthio)valeric acid Formula: C36H70O5S2 MolecularWeight: 647.068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O5S2/c1-7-9-11-13-15-17-19-21-23-29(3)42-33(31(5)35(37)38)25-27-41-28-26-34(32(6)36(39)40)43-30(4)24-22-20-18-16-14-12-10-8-2/h29-34H,7-28H2,1-6H3,(H,37,38)(H,39,40)