2-(4-chloranylphenoxy)ethanamine; 4,5,7-trimethyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid

Systemtic Name: 2-(4-chloranylphenoxy)ethanamine; 4,5,7-trimethyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid Openeye Name: 2-(4-chlorophenoxy)ethanamine; 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid CAS Name: 2-(4-chlorophenoxy)ethanamine; 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid IUPAC Name: 2-(4-chlorophenoxy)ethanamine; 4,5,7-trimethyl-2-oxo-1H-quinoline-6-sulfonic acid Traditional Name: 2-(4-chlorophenoxy)ethylamine; 2-keto-4,5,7-trimethyl-1H-quinoline-6-sulfonic acid Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)N2)C)C(=C1S(=O)(=O)O)C.C1=CC(=CC=C1OCCN)Cl

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)N2)C)C(=C1S(=O)(=O)O)C.C1=CC(=CC=C1OCCN)Cl

InChI

InChI=1S/C12H13NO4S.C8H10ClNO/c1-6-5-10(14)13-9-4-7(2)12(18(15,16)17)8(3)11(6)9;9-7-1-3-8(4-2-7)11-6-5-10/h4-5H,1-3H3,(H,13,14)(H,15,16,17);1-4H,5-6,10H2