disodium [3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] phosphate nonahydrate

Systemtic Name: disodium [3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] phosphate nonahydrate Openeye Name: disodium [3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl] phosphate nonahydrate CAS Name: disodium [3-[(2,4-dimethylanilino)-oxomethyl]-2-naphthalenyl] phosphate nonahydrate IUPAC Name: disodium [3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] phosphate nonahydrate Traditional Name: disodium [3-[(2,4-dimethylphenyl)carbamoyl]-2-naphthyl] phosphate nonahydrate Formula: C19H34NNa2O14P MolecularWeight: 577.424861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)([O-])[O-])C.O.O.O.O.O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)([O-])[O-])C.O.O.O.O.O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C19H18NO5P.2Na.9H2O/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24;;;;;;;;;;;/h3-11H,1-2H3,(H,20,21)(H2,22,23,24);;;9*1H2/q;2*+1;;;;;;;;;/p-2