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2-[4-(3-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione

2-[4-(3-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name:2-[4-(3-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione
Openeye Name:2-[4-(3-nitrophenyl)sulfanylbutyl]isoindoline-1,3-dione
CAS Name:2-[4-[(3-nitrophenyl)thio]butyl]isoindole-1,3-dione
IUPAC Name:2-[4-(3-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione
Traditional Name:2-[4-[(3-nitrophenyl)thio]butyl]isoindoline-1,3-quinone
Formula: C18H16N2O4S
MolecularWeight: 356.39564
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC3=CC=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H16N2O4S/c21-17-15-8-1-2-9-16(15)18(22)19(17)10-3-4-11-25-14-7-5-6-13(12-14)20(23)24/h1-2,5-9,12H,3-4,10-11H2


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