6-nitro-4-phenylsulfanyl-isoindole-1,3-dione

Systemtic Name: 6-nitro-4-phenylsulfanyl-isoindole-1,3-dione Openeye Name: 6-nitro-4-phenylsulfanyl-isoindoline-1,3-dione CAS Name: 6-nitro-4-(phenylthio)isoindole-1,3-dione IUPAC Name: 6-nitro-4-phenylsulfanylisoindole-1,3-dione Traditional Name: 6-nitro-4-(phenylthio)isoindoline-1,3-quinone Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)NC3=O

InChI

InChI=1S/C14H8N2O4S/c17-13-10-6-8(16(19)20)7-11(12(10)14(18)15-13)21-9-4-2-1-3-5-9/h1-7H,(H,15,17,18)