(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (6-chloro-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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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