(Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[6-nitrooxyhexoxy(oxo)methoxy]-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-mesylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoic acid Formula: C24H27NO10S MolecularWeight: 521.53688

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO10S/c1-36(31,32)20-13-11-18(12-14-20)21(22(23(26)27)19-9-5-4-6-10-19)17-34-24(28)33-15-7-2-3-8-16-35-25(29)30/h4-6,9-14H,2-3,7-8,15-17H2,1H3,(H,26,27)/b22-21+