(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H16ClNO6S MolecularWeight: 445.87284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO6S/c22-17-5-1-3-13-4-2-6-18(20(13)17)30-11-19(24)28-10-15-8-16(23(25)26)7-14-9-27-12-29-21(14)15/h1-8H,9-12H2