methyl (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoate

Systemtic Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoate Openeye Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoate CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[5-nitrooxypentoxy(oxo)methoxy]-2-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenylbut-2-enoate Traditional Name: (Z)-3-(4-mesylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoic acid methyl ester Formula: C24H27NO10S MolecularWeight: 521.53688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(COC(=O)OCCCCCO[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C(\COC(=O)OCCCCCO[N+](=O)[O-])/C1=CC=C(C=C1)S(=O)(=O)C)/C2=CC=CC=C2

InChI

InChI=1S/C24H27NO10S/c1-32-23(26)22(19-9-5-3-6-10-19)21(18-11-13-20(14-12-18)36(2,30)31)17-34-24(27)33-15-7-4-8-16-35-25(28)29/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3/b22-21+