methyl (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoate

Systemtic Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoate Openeye Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoate CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[6-nitrooxyhexoxy(oxo)methoxy]-2-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenylbut-2-enoate Traditional Name: (Z)-3-(4-mesylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoic acid methyl ester Formula: C25H29NO10S MolecularWeight: 535.56346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO10S/c1-33-24(27)23(20-10-6-5-7-11-20)22(19-12-14-21(15-13-19)37(2,31)32)18-35-25(28)34-16-8-3-4-9-17-36-26(29)30/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3/b23-22+