2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanyl]propan-1-ol

Systemtic Name: 2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanyl]propan-1-ol Openeye Name: 2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanyl]propan-1-ol CAS Name: 2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]-1-propanol IUPAC Name: 2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanyl]propan-1-ol Traditional Name: 2,3-bis[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]propan-1-ol Formula: C21H22N2O9S2 MolecularWeight: 510.53738

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC(CO)SC(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC(CO)SC(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O9S2/c24-9-15(34-21(8-23(27)28)14-2-4-17-19(6-14)32-12-30-17)10-33-20(7-22(25)26)13-1-3-16-18(5-13)31-11-29-16/h1-6,15,20-21,24H,7-12H2