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

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C15H11NO6S MolecularWeight: 333.31594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO6S/c17-15(8-23-12-4-1-10(2-5-12)16(18)19)22-11-3-6-13-14(7-11)21-9-20-13/h1-7H,8-9H2