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

Systemtic Name: 2-[2-(2-methylpropyl)-3-methylsulfanyl-4-(oxidanylamino)phenyl]butanedial Openeye Name: 2-[4-(hydroxyamino)-2-isobutyl-3-methylsulfanyl-phenyl]butanedial CAS Name: 2-[4-(hydroxyamino)-2-(2-methylpropyl)-3-(methylthio)phenyl]butanedial IUPAC Name: 2-[4-(hydroxyamino)-2-(2-methylpropyl)-3-methylsulfanylphenyl]butanedial Traditional Name: 2-[4-(hydroxyamino)-2-isobutyl-3-(methylthio)phenyl]succinaldehyde Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1SC)NO)C(CC=O)C=O

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1SC)NO)C(CC=O)C=O

InChI

InChI=1S/C15H21NO3S/c1-10(2)8-13-12(11(9-18)6-7-17)4-5-14(16-19)15(13)20-3/h4-5,7,9-11,16,19H,6,8H2,1-3H3