7a-[2-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]sulfanylethyl]-3aH-isoindole-1,3-dione

Systemtic Name: 7a-[2-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]sulfanylethyl]-3aH-isoindole-1,3-dione Openeye Name: 7a-[2-(3,5-difluoro-4-hydroxy-phenyl)sulfanylethyl]-3aH-isoindole-1,3-dione CAS Name: 7a-[2-[(3,5-difluoro-4-hydroxyphenyl)thio]ethyl]-3aH-isoindole-1,3-dione IUPAC Name: 7a-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]-3aH-isoindole-1,3-dione Traditional Name: 7a-[2-[(3,5-difluoro-4-hydroxy-phenyl)thio]ethyl]-3aH-isoindole-1,3-quinone Formula: C16H13F2NO3S MolecularWeight: 337.341126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=O)NC(=O)C2(C=C1)CCSC3=CC(=C(C(=C3)F)O)F

Isomeric SMILES

C1=CC2C(=O)NC(=O)C2(C=C1)CCSC3=CC(=C(C(=C3)F)O)F

InChI

InChI=1S/C16H13F2NO3S/c17-11-7-9(8-12(18)13(11)20)23-6-5-16-4-2-1-3-10(16)14(21)19-15(16)22/h1-4,7-8,10,20H,5-6H2,(H,19,21,22)