(Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[4-nitrooxybutoxy(oxo)methoxy]-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methylsulfonylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-mesylphenyl)-4-(4-nitrooxybutoxycarbonyloxy)-2-phenyl-but-2-enoic acid Formula: C22H23NO10S MolecularWeight: 493.48372

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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)OCCCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO10S/c1-34(29,30)18-11-9-16(10-12-18)19(20(21(24)25)17-7-3-2-4-8-17)15-32-22(26)31-13-5-6-14-33-23(27)28/h2-4,7-12H,5-6,13-15H2,1H3,(H,24,25)/b20-19+