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

Systemtic Name: disodium [6-bromanyl-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate hydrate Openeye Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl] phosphate hydrate CAS Name: disodium [6-bromo-3-[(2-methoxyanilino)-oxomethyl]-2-naphthalenyl] phosphate hydrate IUPAC Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate hydrate Traditional Name: disodium [6-bromo-3-[(2-methoxyphenyl)carbamoyl]-2-naphthyl] phosphate hydrate Formula: C18H15BrNNa2O7P MolecularWeight: 514.171501

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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.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrNO6P.2Na.H2O/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);;;1H2/q;2*+1;/p-2