3-(4-butyloctylsulfanyl)-5-[3-(4-butyloctylsulfanyl)-4-methyl-5-oxidanyl-5-oxidanylidene-pentoxy]-2-methyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCCSC(CCOCCC(C(C)C(=O)O)SCCCC(CCCC)CCCC)C(C)C(=O)O

Isomeric SMILES

CCCCC(CCCC)CCCSC(CCOCCC(C(C)C(=O)O)SCCCC(CCCC)CCCC)C(C)C(=O)O

InChI

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