sodium 2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]benzoate dihydrate

Systemtic Name: sodium 2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]benzoate dihydrate Openeye Name: sodium 2-(2,6-dichloro-3-methyl-anilino)benzoate dihydrate CAS Name: sodium 2-(2,6-dichloro-3-methylanilino)benzoate dihydrate IUPAC Name: sodium 2-(2,6-dichloro-3-methylanilino)benzoate dihydrate Traditional Name: sodium 2-(2,6-dichloro-3-methyl-anilino)benzoate dihydrate Formula: C14H14Cl2NNaO4 MolecularWeight: 354.16103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.O.O.[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.O.O.[Na+]

InChI

InChI=1S/C14H11Cl2NO2.Na.2H2O/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;;;/h2-7,17H,1H3,(H,18,19);;2*1H2/q;+1;;/p-1