2-methylquinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 2-methylquinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-hydroxy-5-sulfo-benzoic acid; 2-methylquinolin-4-amine CAS Name: 2-hydroxy-5-sulfobenzoic acid; 2-methyl-4-quinolinamine IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; 2-methylquinolin-4-amine Traditional Name: 2-hydroxy-5-sulfo-benzoic acid; (2-methyl-4-quinolyl)amine Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C10H10N2.C7H6O6S/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h2-6H,1H3,(H2,11,12);1-3,8H,(H,9,10)(H,11,12,13)