sodium (2-methyl-4-oxidanyl-naphthalen-1-yl) phosphate hexahydrate

Systemtic Name: sodium (2-methyl-4-oxidanyl-naphthalen-1-yl) phosphate hexahydrate Openeye Name: sodium (4-hydroxy-2-methyl-1-naphthyl) phosphate hexahydrate CAS Name: sodium (4-hydroxy-2-methyl-1-naphthalenyl) phosphate hexahydrate IUPAC Name: sodium (4-hydroxy-2-methylnaphthalen-1-yl) phosphate hexahydrate Traditional Name: sodium (4-hydroxy-2-methyl-1-naphthyl) phosphate hexahydrate Formula: C11H21NaO11P- MolecularWeight: 383.241371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)O)OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)O)OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+]

InChI

InChI=1S/C11H11O5P.Na.6H2O/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)16-17(13,14)15;;;;;;;/h2-6,12H,1H3,(H2,13,14,15);;6*1H2/q;+1;;;;;;/p-2