3-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]benzoic acid

Systemtic Name: 3-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]benzoic acid Openeye Name: 3-[4-(p-tolyl)-1,3,5-triazin-2-yl]benzoic acid CAS Name: 3-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]benzoic acid IUPAC Name: 3-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]benzoic acid Traditional Name: 3-[4-(p-tolyl)-s-triazin-2-yl]benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H13N3O2/c1-11-5-7-12(8-6-11)15-18-10-19-16(20-15)13-3-2-4-14(9-13)17(21)22/h2-10H,1H3,(H,21,22)