(4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: (4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: (4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid (4-nitrophenyl) ester IUPAC Name: (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 (4-nitrophenyl) ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6S/c18-16(23-12-3-1-11(2-4-12)17(19)20)10-24-13-5-6-14-15(9-13)22-8-7-21-14/h1-6,9H,7-8,10H2