(2-chloranyl-4-nitro-phenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: (2-chloro-4-nitro-phenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H12ClNO6S MolecularWeight: 381.78758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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