disodium (5-bromanyl-6-chloranyl-1H-indol-3-yl) phosphate trihydrate

Systemtic Name: disodium (5-bromanyl-6-chloranyl-1H-indol-3-yl) phosphate trihydrate Openeye Name: disodium (5-bromo-6-chloro-1H-indol-3-yl) phosphate trihydrate CAS Name: disodium (5-bromo-6-chloro-1H-indol-3-yl) phosphate trihydrate IUPAC Name: disodium (5-bromo-6-chloro-1H-indol-3-yl) phosphate trihydrate Traditional Name: disodium (5-bromo-6-chloro-1H-indol-3-yl) phosphate trihydrate Formula: C8H10BrClNNa2O7P MolecularWeight: 424.477801

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)([O-])[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C8H6BrClNO4P.2Na.3H2O/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;;;;;/h1-3,11H,(H2,12,13,14);;;3*1H2/q;2*+1;;;/p-2