(Z)-4-(4,5-dinitrooxypentoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-4-(4,5-dinitrooxypentoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-4-(4,5-dinitrooxypentoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid CAS Name: (Z)-4-[4,5-dinitrooxypentoxy(oxo)methoxy]-3-(4-methylsulfonylphenyl)-2-phenyl-2-butenoic acid IUPAC Name: (Z)-4-(4,5-dinitrooxypentoxycarbonyloxy)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid Traditional Name: (Z)-4-(4,5-dinitrooxypentoxycarbonyloxy)-3-(4-mesylphenyl)-2-phenyl-but-2-enoic acid Formula: C23H24N2O13S MolecularWeight: 568.50726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C(=O)O)COC(=O)OCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C(=O)O)/COC(=O)OCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O13S/c1-39(33,34)19-11-9-16(10-12-19)20(21(22(26)27)17-6-3-2-4-7-17)15-36-23(28)35-13-5-8-18(38-25(31)32)14-37-24(29)30/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3,(H,26,27)/b21-20+