disodium [6-bromanyl-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate heptahydrate

Systemtic Name: disodium [6-bromanyl-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate heptahydrate Openeye Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl] phosphate heptahydrate CAS Name: disodium [6-bromo-3-[(2-methoxyanilino)-oxomethyl]-2-naphthalenyl] phosphate heptahydrate IUPAC Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate heptahydrate Traditional Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl] phosphate heptahydrate Formula: C18H27BrNNa2O13P MolecularWeight: 622.263181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)([O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)([O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C18H15BrNO6P.2Na.7H2O/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24;;;;;;;;;/h2-10H,1H3,(H,20,21)(H2,22,23,24);;;7*1H2/q;2*+1;;;;;;;/p-2