2-(6-nitro-1,3-benzodioxol-5-yl)propyl phenylsulfanylmethanoate

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)propyl phenylsulfanylmethanoate Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)propyl phenylsulfanylformate CAS Name: (phenylthio)formic acid 2-(6-nitro-1,3-benzodioxol-5-yl)propyl ester IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)propyl phenylsulfanylformate Traditional Name: (phenylthio)formic acid 2-(6-nitro-1,3-benzodioxol-5-yl)propyl ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)SC1=CC=CC=C1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(COC(=O)SC1=CC=CC=C1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H15NO6S/c1-11(9-22-17(19)25-12-5-3-2-4-6-12)13-7-15-16(24-10-23-15)8-14(13)18(20)21/h2-8,11H,9-10H2,1H3