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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)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-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H14ClNO6S MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO6S/c18-13-1-3-15(4-2-13)26-9-16(20)24-8-12-6-14(19(21)22)5-11-7-23-10-25-17(11)12/h1-6H,7-10H2