sodium 5-(3-naphthalen-2-yloxypropoxy)-4-oxidanylidene-pyran-2-carboxylate dihydrate

Systemtic Name: sodium 5-(3-naphthalen-2-yloxypropoxy)-4-oxidanylidene-pyran-2-carboxylate dihydrate Openeye Name: sodium 5-[3-(2-naphthyloxy)propoxy]-4-oxo-pyran-2-carboxylate dihydrate CAS Name: sodium 5-[3-(2-naphthalenyloxy)propoxy]-4-oxo-2-pyrancarboxylate dihydrate IUPAC Name: sodium 5-(3-naphthalen-2-yloxypropoxy)-4-oxopyran-2-carboxylate dihydrate Traditional Name: sodium 4-keto-5-[3-(2-naphthoxy)propoxy]pyran-2-carboxylate dihydrate Formula: C19H19NaO8 MolecularWeight: 398.33913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCCCOC3=COC(=CC3=O)C(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCCCOC3=COC(=CC3=O)C(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C19H16O6.Na.2H2O/c20-16-11-17(19(21)22)25-12-18(16)24-9-3-8-23-15-7-6-13-4-1-2-5-14(13)10-15;;;/h1-2,4-7,10-12H,3,8-9H2,(H,21,22);;2*1H2/q;+1;;/p-1