sodium 5-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]-2-oxidanyl-benzoate

Systemtic Name: sodium 5-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]-2-oxidanyl-benzoate Openeye Name: sodium 5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-hydroxy-benzoate CAS Name: sodium 5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-hydroxybenzoate IUPAC Name: sodium 5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-hydroxybenzoate Traditional Name: sodium 5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-hydroxy-benzoate Formula: C17H14Cl2NNaO3 MolecularWeight: 374.19373

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=C(C=C3)O)C(=O)[O-].[Na+]

Isomeric SMILES

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC(=C(C=C3)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15Cl2NO3.Na/c1-20-7-13(9-2-3-16(21)12(4-9)17(22)23)11-5-10(18)6-15(19)14(11)8-20;/h2-6,13,21H,7-8H2,1H3,(H,22,23);/q;+1/p-1