(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-naphthalen-2-ylsulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO6S/c23-20(12-29-19-6-5-14-3-1-2-4-15(14)9-19)27-11-17-8-18(22(24)25)7-16-10-26-13-28-21(16)17/h1-9H,10-13H2