4-methylsulfanyl-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole

Systemtic Name: 4-methylsulfanyl-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Openeye Name: 4-methylsulfanyl-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole CAS Name: 4-(methylthio)-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole IUPAC Name: 4-methylsulfanyl-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Traditional Name: 4-(methylthio)-5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C2=C(C=C1)OCO2)SC)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=C(C2=C(C=C1)OCO2)SC)/[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4S/c1-7(12(13)14)5-8-3-4-9-10(11(8)17-2)16-6-15-9/h3-5H,6H2,1-2H3/b7-5+