ethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]prop-2-enoate

Systemtic Name: ethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]prop-2-enoate Openeye Name: ethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]prop-2-enoate Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2,3-dinitrooxypropyldisulfanyl)methyl]acrylic acid ethyl ester Formula: C16H18N2O10S2 MolecularWeight: 462.45152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O10S2/c1-2-24-16(19)12(5-11-3-4-14-15(6-11)26-10-25-14)8-29-30-9-13(28-18(22)23)7-27-17(20)21/h3-6,13H,2,7-10H2,1H3/b12-5+