2-[[3-tert-butyl-4-oxidanyl-5-(1-oxidanylidenepropan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]propanal

Systemtic Name: 2-[[3-tert-butyl-4-oxidanyl-5-(1-oxidanylidenepropan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]propanal Openeye Name: 2-[[3-tert-butyl-4-hydroxy-5-[(1-methyl-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]propanal CAS Name: 2-[[3-tert-butyl-4-hydroxy-5-[(1-oxopropan-2-ylthio)methyl]phenyl]methylthio]propanal IUPAC Name: 2-[[3-tert-butyl-4-hydroxy-5-(1-oxopropan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]propanal Traditional Name: 2-[[3-tert-butyl-4-hydroxy-5-[[(2-keto-1-methyl-ethyl)thio]methyl]benzyl]thio]propionaldehyde Formula: C18H26O3S2 MolecularWeight: 354.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)CSC(C)C=O

Isomeric SMILES

CC(C=O)SCC1=CC(=C(C(=C1)C(C)(C)C)O)CSC(C)C=O

InChI

InChI=1S/C18H26O3S2/c1-12(8-19)22-10-14-6-15(11-23-13(2)9-20)17(21)16(7-14)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3