2-[[1,1-bis(oxidanyl)thian-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1,1-bis(oxidanyl)thian-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(1,1-dihydroxythian-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1,1-dihydroxy-4-thianyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(1,1-dihydroxythian-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(1,1-dihydroxythian-4-yl)methyl]isoindoline-1,3-quinone Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(CCC1CN2C(=O)C3=CC=CC=C3C2=O)(O)O

Isomeric SMILES

C1CS(CCC1CN2C(=O)C3=CC=CC=C3C2=O)(O)O

InChI

InChI=1S/C14H17NO4S/c16-13-11-3-1-2-4-12(11)14(17)15(13)9-10-5-7-20(18,19)8-6-10/h1-4,10,18-19H,5-9H2