2-[[3-methylsulfanyl-2-octyl-4-(oxidanylamino)phenyl]methyl]butanedial

Systemtic Name: 2-[[3-methylsulfanyl-2-octyl-4-(oxidanylamino)phenyl]methyl]butanedial Openeye Name: 2-[[4-(hydroxyamino)-3-methylsulfanyl-2-octyl-phenyl]methyl]butanedial CAS Name: 2-[[4-(hydroxyamino)-3-(methylthio)-2-octylphenyl]methyl]butanedial IUPAC Name: 2-[[4-(hydroxyamino)-3-methylsulfanyl-2-octylphenyl]methyl]butanedial Traditional Name: 2-[4-(hydroxyamino)-3-(methylthio)-2-octyl-benzyl]succinaldehyde Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1SC)NO)CC(CC=O)C=O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1SC)NO)CC(CC=O)C=O

InChI

InChI=1S/C20H31NO3S/c1-3-4-5-6-7-8-9-18-17(14-16(15-23)12-13-22)10-11-19(21-24)20(18)25-2/h10-11,13,15-16,21,24H,3-9,12,14H2,1-2H3