1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylpropanoate CAS Name: 2-[(4-nitrophenyl)thio]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 2-[(4-nitrophenyl)thio]propionic acid 1,3-benzodioxol-5-yl ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c1-10(24-13-5-2-11(3-6-13)17(19)20)16(18)23-12-4-7-14-15(8-12)22-9-21-14/h2-8,10H,9H2,1H3