2-[(2,4-dinitrophenyl)amino]-3-sulfanyl-propanal

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-sulfanyl-propanal Openeye Name: 2-(2,4-dinitroanilino)-3-sulfanyl-propanal CAS Name: 2-(2,4-dinitroanilino)-3-mercaptopropanal IUPAC Name: 2-(2,4-dinitroanilino)-3-sulfanylpropanal Traditional Name: 2-(2,4-dinitroanilino)-3-mercapto-propionaldehyde Formula: C9H9N3O5S MolecularWeight: 271.24986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CS)C=O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CS)C=O

InChI

InChI=1S/C9H9N3O5S/c13-4-6(5-18)10-8-2-1-7(11(14)15)3-9(8)12(16)17/h1-4,6,10,18H,5H2