4,5-dinitrooxypentyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate

Systemtic Name: 4,5-dinitrooxypentyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate Openeye Name: 4,5-dinitrooxypentyl (Z)-4-acetoxy-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoate CAS Name: (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid 4,5-dinitrooxypentyl ester IUPAC Name: 4,5-dinitrooxypentyl (Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoate Traditional Name: (Z)-4-acetoxy-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid 4,5-dinitrooxypentyl ester Formula: C24H26N2O12S MolecularWeight: 566.53444

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H26N2O12S/c1-17(27)36-16-22(18-10-12-21(13-11-18)39(2,33)34)23(19-7-4-3-5-8-19)24(28)35-14-6-9-20(38-26(31)32)15-37-25(29)30/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/b23-22+