azane; 4-[(4,5-dicarboxy-2-methyl-phenyl)methyl]-5-methyl-phthalic acid

Systemtic Name: azane; 4-[(4,5-dicarboxy-2-methyl-phenyl)methyl]-5-methyl-phthalic acid Openeye Name: ammonia; 4-[(4,5-dicarboxy-2-methyl-phenyl)methyl]-5-methyl-phthalic acid CAS Name: ammonia; 4-[(4,5-dicarboxy-2-methylphenyl)methyl]-5-methylphthalic acid IUPAC Name: azane; 4-[(4,5-dicarboxy-2-methylphenyl)methyl]-5-methylphthalic acid Traditional Name: ammonia; 4-(4,5-dicarboxy-2-methyl-benzyl)-5-methyl-phthalic acid Formula: C19H19NO8 MolecularWeight: 389.35606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)O)C(=O)O)CC2=C(C=C(C(=C2)C(=O)O)C(=O)O)C.N

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)O)C(=O)O)CC2=C(C=C(C(=C2)C(=O)O)C(=O)O)C.N

InChI

InChI=1S/C19H16O8.H3N/c1-8-3-12(16(20)21)14(18(24)25)6-10(8)5-11-7-15(19(26)27)13(17(22)23)4-9(11)2;/h3-4,6-7H,5H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27);1H3