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

Systemtic Name: 2-[3-methylsulfanyl-2-octyl-4-(oxidanylamino)phenyl]butanedial Openeye Name: 2-[4-(hydroxyamino)-3-methylsulfanyl-2-octyl-phenyl]butanedial CAS Name: 2-[4-(hydroxyamino)-3-(methylthio)-2-octylphenyl]butanedial IUPAC Name: 2-[4-(hydroxyamino)-3-methylsulfanyl-2-octylphenyl]butanedial Traditional Name: 2-[4-(hydroxyamino)-3-(methylthio)-2-octyl-phenyl]succinaldehyde Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S/c1-3-4-5-6-7-8-9-17-16(15(14-22)12-13-21)10-11-18(20-23)19(17)24-2/h10-11,13-15,20,23H,3-9,12H2,1-2H3