3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(E)-[1-(4-ethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)/C(=O)NC2=O

InChI

InChI=1S/C27H22N2O6/c1-2-17-6-10-21(11-7-17)29-25(31)23(24(30)28-27(29)34)15-18-8-12-22(13-9-18)35-16-19-4-3-5-20(14-19)26(32)33/h3-15H,2,16H2,1H3,(H,32,33)(H,28,30,34)/b23-15+