4-[4,6-bis(3,4-dicarboxyphenyl)-1,2,3-triazin-5-yl]phthalic acid

Systemtic Name: 4-[4,6-bis(3,4-dicarboxyphenyl)-1,2,3-triazin-5-yl]phthalic acid Openeye Name: 4-[4,6-bis(3,4-dicarboxyphenyl)triazin-5-yl]phthalic acid CAS Name: 4-[4,6-bis(3,4-dicarboxyphenyl)-5-triazinyl]phthalic acid IUPAC Name: 4-[4,6-bis(3,4-dicarboxyphenyl)triazin-5-yl]phthalic acid Traditional Name: 4-[4,6-bis(3,4-dicarboxyphenyl)triazin-5-yl]phthalic acid Formula: C27H15N3O12 MolecularWeight: 573.4209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(N=NN=C2C3=CC(=C(C=C3)C(=O)O)C(=O)O)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(N=NN=C2C3=CC(=C(C=C3)C(=O)O)C(=O)O)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H15N3O12/c31-22(32)13-4-1-10(7-16(13)25(37)38)19-20(11-2-5-14(23(33)34)17(8-11)26(39)40)28-30-29-21(19)12-3-6-15(24(35)36)18(9-12)27(41)42/h1-9H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)