sodium 5-oxidanyl-4-oxidanylidene-6-propyl-7,8,9,10-tetrahydrobenzo[h]chromene-2-carboxylate

Systemtic Name: sodium 5-oxidanyl-4-oxidanylidene-6-propyl-7,8,9,10-tetrahydrobenzo[h]chromene-2-carboxylate Openeye Name: sodium 5-hydroxy-4-oxo-6-propyl-7,8,9,10-tetrahydrobenzo[h]chromene-2-carboxylate CAS Name: sodium 5-hydroxy-4-oxo-6-propyl-7,8,9,10-tetrahydrobenzo[h][1]benzopyran-2-carboxylate IUPAC Name: sodium 5-hydroxy-4-oxo-6-propyl-7,8,9,10-tetrahydrobenzo[h]chromene-2-carboxylate Traditional Name: sodium 5-hydroxy-4-keto-6-propyl-7,8,9,10-tetrahydrobenzo[h]chromene-2-carboxylate Formula: C17H17NaO5 MolecularWeight: 324.30365

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C3=C1CCCC3)OC(=CC2=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCC1=C(C2=C(C3=C1CCCC3)OC(=CC2=O)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H18O5.Na/c1-2-5-10-9-6-3-4-7-11(9)16-14(15(10)19)12(18)8-13(22-16)17(20)21;/h8,19H,2-7H2,1H3,(H,20,21);/q;+1/p-1