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

Systemtic Name: ethyl (Z)-3-(4-methylsulfonylphenyl)-4-(6-nitrooxyhexoxycarbonyloxy)-2-phenyl-but-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C26H31NO10S MolecularWeight: 549.59004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H31NO10S/c1-3-34-25(28)24(21-11-7-6-8-12-21)23(20-13-15-22(16-14-20)38(2,32)33)19-36-26(29)35-17-9-4-5-10-18-37-27(30)31/h6-8,11-16H,3-5,9-10,17-19H2,1-2H3/b24-23+