[2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxidanylidene-hex-5-enyl] 4-nitrobenzoate

Systemtic Name: [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxidanylidene-hex-5-enyl] 4-nitrobenzoate Openeye Name: [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxo-hex-5-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methyl-1-oxoprop-2-enoxy)-3-(2-methyl-1-oxoprop-2-enyl)-4-oxohex-5-enyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxohex-5-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-keto-3-methacryloyl-3-methacryloyloxy-5-methyl-2,2-dimethylol-hex-5-enyl) ester Formula: C24H27NO10 MolecularWeight: 489.47188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C(C(=O)C(=C)C)(C(CO)(CO)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C(=C)C

Isomeric SMILES

CC(=C)C(=O)C(C(=O)C(=C)C)(C(CO)(CO)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C(=C)C

InChI

InChI=1S/C24H27NO10/c1-14(2)19(28)24(20(29)15(3)4,35-21(30)16(5)6)23(11-26,12-27)13-34-22(31)17-7-9-18(10-8-17)25(32)33/h7-10,26-27H,1,3,5,11-13H2,2,4,6H3