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

Systemtic Name: sodium 2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]benzoate hydrate Openeye Name: sodium 2-(2,6-dichloro-3-methyl-anilino)benzoate hydrate CAS Name: sodium 2-(2,6-dichloro-3-methylanilino)benzoate hydrate IUPAC Name: sodium 2-(2,6-dichloro-3-methylanilino)benzoate hydrate Traditional Name: sodium 2-(2,6-dichloro-3-methyl-anilino)benzoate hydrate Formula: C14H12Cl2NNaO3 MolecularWeight: 336.14575

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H11Cl2NO2.Na.H2O/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);;1H2/q;+1;/p-1