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

Systemtic Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoate Openeye Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoate CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[4-nitrooxybutoxy(oxo)methoxy]-2-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenylbut-2-enoate Traditional Name: (Z)-3-(4-mesylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoic acid methyl ester Formula: C23H25NO10S MolecularWeight: 507.5103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO10S/c1-31-22(25)21(18-8-4-3-5-9-18)20(17-10-12-19(13-11-17)35(2,29)30)16-33-23(26)32-14-6-7-15-34-24(27)28/h3-5,8-13H,6-7,14-16H2,1-2H3/b21-20+