3,4-dinitrooxybutyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate

Systemtic Name: 3,4-dinitrooxybutyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate Openeye Name: 3,4-dinitrooxybutyl (Z)-4-acetoxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate CAS Name: (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid 3,4-dinitrooxybutyl ester IUPAC Name: 3,4-dinitrooxybutyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate Traditional Name: (Z)-4-acetoxy-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid 3,4-dinitrooxybutyl ester Formula: C23H24N2O12S MolecularWeight: 552.50786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=C(C1=CC=CC=C1)C(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC/C(=C(/C1=CC=CC=C1)\C(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C23H24N2O12S/c1-16(26)35-15-21(17-8-10-20(11-9-17)38(2,32)33)22(18-6-4-3-5-7-18)23(27)34-13-12-19(37-25(30)31)14-36-24(28)29/h3-11,19H,12-15H2,1-2H3/b22-21+