2-ethyl-3-methyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 2-ethyl-3-methyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-ethyl-3-methyl-quinolin-4-amine; 2-hydroxy-5-sulfo-benzoic acid CAS Name: 2-ethyl-3-methyl-4-quinolinamine; 2-hydroxy-5-sulfobenzoic acid IUPAC Name: 2-ethyl-3-methylquinolin-4-amine; 2-hydroxy-5-sulfobenzoic acid Traditional Name: (2-ethyl-3-methyl-4-quinolyl)amine; 2-hydroxy-5-sulfo-benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C12H14N2.C7H6O6S/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-7H,3H2,1-2H3,(H2,13,14);1-3,8H,(H,9,10)(H,11,12,13)