butyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: butyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: butyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]acetic acid butyl ester Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H19NO6S/c1-2-3-6-20-15(17)9-23-14(8-16(18)19)11-4-5-12-13(7-11)22-10-21-12/h4-5,7,14H,2-3,6,8-10H2,1H3