ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)prop-2-enoate Openeye Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(2,3-dinitrooxypropyldisulfanyl)acrylic acid ethyl ester Formula: C15H16N2O10S2 MolecularWeight: 448.42494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O10S2/c1-2-23-15(18)14(6-10-3-4-12-13(5-10)25-9-24-12)29-28-8-11(27-17(21)22)7-26-16(19)20/h3-6,11H,2,7-9H2,1H3/b14-6+