azane; 4-[(4,6-dicarboxy-3-methyl-2-oxidanyl-phenyl)methyl]-6-methyl-5-oxidanyl-benzene-1,3-dicarboxylic acid

Systemtic Name: azane; 4-[(4,6-dicarboxy-3-methyl-2-oxidanyl-phenyl)methyl]-6-methyl-5-oxidanyl-benzene-1,3-dicarboxylic acid Openeye Name: ammonia; 4-[(4,6-dicarboxy-2-hydroxy-3-methyl-phenyl)methyl]-5-hydroxy-6-methyl-benzene-1,3-dicarboxylic acid CAS Name: ammonia; 4-[(4,6-dicarboxy-2-hydroxy-3-methylphenyl)methyl]-5-hydroxy-6-methylbenzene-1,3-dicarboxylic acid IUPAC Name: azane; 4-[(4,6-dicarboxy-2-hydroxy-3-methylphenyl)methyl]-5-hydroxy-6-methylbenzene-1,3-dicarboxylic acid Traditional Name: ammonia; 4-(4,6-dicarboxy-2-hydroxy-3-methyl-benzyl)-5-hydroxy-6-methyl-isophthalic acid Formula: C19H19NO10 MolecularWeight: 421.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)C(=O)O)CC2=C(C=C(C(=C2O)C)C(=O)O)C(=O)O)O.N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)C(=O)O)CC2=C(C=C(C(=C2O)C)C(=O)O)C(=O)O)O.N

InChI

InChI=1S/C19H16O10.H3N/c1-6-8(16(22)23)3-12(18(26)27)10(14(6)20)5-11-13(19(28)29)4-9(17(24)25)7(2)15(11)21;/h3-4,20-21H,5H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29);1H3