2-butyl-3-propyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 2-butyl-3-propyl-quinolin-4-amine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-butyl-3-propyl-quinolin-4-amine; 2-hydroxy-5-sulfo-benzoic acid CAS Name: 2-butyl-3-propyl-4-quinolinamine; 2-hydroxy-5-sulfobenzoic acid IUPAC Name: 2-butyl-3-propylquinolin-4-amine; 2-hydroxy-5-sulfobenzoic acid Traditional Name: (2-butyl-3-propyl-4-quinolyl)amine; 2-hydroxy-5-sulfo-benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C16H22N2.C7H6O6S/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,17,18);1-3,8H,(H,9,10)(H,11,12,13)