2-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanylisoindole-1,3-dione

Systemtic Name: 2-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]sulfanylisoindole-1,3-dione Openeye Name: 2-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]sulfanylisoindoline-1,3-dione CAS Name: 2-[[(E)-2-hydroxy-4-oxopent-2-en-3-yl]thio]isoindole-1,3-dione IUPAC Name: 2-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanylisoindole-1,3-dione Traditional Name: 2-[[(E)-1-acetyl-2-hydroxy-prop-1-enyl]thio]isoindoline-1,3-quinone Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O)O

Isomeric SMILES

C/C(=C(/C(=O)C)\SN1C(=O)C2=CC=CC=C2C1=O)/O

InChI

InChI=1S/C13H11NO4S/c1-7(15)11(8(2)16)19-14-12(17)9-5-3-4-6-10(9)13(14)18/h3-6,15H,1-2H3/b11-7+