(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12ClNO6S MolecularWeight: 381.78758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClNO6S/c17-13-5-10(6-14-16(13)24-9-23-14)7-22-15(19)8-25-12-3-1-11(2-4-12)18(20)21/h1-6H,7-9H2