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

Systemtic Name: 2-methyl-5-[4-methyl-5-oxidanyl-5-oxidanylidene-3-(phenylmethylsulfanyl)pentoxy]-3-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 3-benzylsulfanyl-5-(3-benzylsulfanyl-5-hydroxy-4-methyl-5-oxo-pentoxy)-2-methyl-pentanoic acid CAS Name: 5-[5-hydroxy-4-methyl-5-oxo-3-(phenylmethylthio)pentoxy]-2-methyl-3-(phenylmethylthio)pentanoic acid IUPAC Name: 3-benzylsulfanyl-5-(3-benzylsulfanyl-5-hydroxy-4-methyl-5-oxopentoxy)-2-methylpentanoic acid Traditional Name: 3-(benzylthio)-5-[3-(benzylthio)-5-hydroxy-5-keto-4-methyl-pentoxy]-2-methyl-valeric acid Formula: C26H34O5S2 MolecularWeight: 490.67516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCOCCC(C(C)C(=O)O)SCC1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(CCOCCC(C(C)C(=O)O)SCC1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H34O5S2/c1-19(25(27)28)23(32-17-21-9-5-3-6-10-21)13-15-31-16-14-24(20(2)26(29)30)33-18-22-11-7-4-8-12-22/h3-12,19-20,23-24H,13-18H2,1-2H3,(H,27,28)(H,29,30)