4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-butanal

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-butanal Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-butanal CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-mercaptobutanal IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-2-sulfanylbutanal Traditional Name: 2-mercapto-4-phthalimido-butyraldehyde Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C=O)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C=O)S

InChI

InChI=1S/C12H11NO3S/c14-7-8(17)5-6-13-11(15)9-3-1-2-4-10(9)12(13)16/h1-4,7-8,17H,5-6H2