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

Systemtic Name: [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxidanylidene-hex-5-enyl] 3-azanylbenzoate Openeye Name: [2,2-bis(hydroxymethyl)-5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxo-hex-5-enyl] 3-aminobenzoate CAS Name: 3-aminobenzoic 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] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid (4-keto-3-methacryloyl-3-methacryloyloxy-5-methyl-2,2-dimethylol-hex-5-enyl) ester Formula: C24H29NO8 MolecularWeight: 459.48896

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(=CC=C1)N)OC(=O)C(=C)C

Isomeric SMILES

CC(=C)C(=O)C(C(=O)C(=C)C)(C(CO)(CO)COC(=O)C1=CC(=CC=C1)N)OC(=O)C(=C)C

InChI

InChI=1S/C24H29NO8/c1-14(2)19(28)24(20(29)15(3)4,33-21(30)16(5)6)23(11-26,12-27)13-32-22(31)17-8-7-9-18(25)10-17/h7-10,26-27H,1,3,5,11-13,25H2,2,4,6H3