sodium 4-oxidanylidene-5-(2-oxidanylpropoxy)-8-propyl-chromene-2-carboxylic acid

Systemtic Name: sodium 4-oxidanylidene-5-(2-oxidanylpropoxy)-8-propyl-chromene-2-carboxylic acid Openeye Name: sodium 5-(2-hydroxypropoxy)-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: sodium 5-(2-hydroxypropoxy)-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: sodium 5-(2-hydroxypropoxy)-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: sodium 5-(2-hydroxypropoxy)-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C16H18NaO6+ MolecularWeight: 329.30029

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OCC(C)O)C(=O)C=C(O2)C(=O)O.[Na+]

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OCC(C)O)C(=O)C=C(O2)C(=O)O.[Na+]

InChI

InChI=1S/C16H18O6.Na/c1-3-4-10-5-6-12(21-8-9(2)17)14-11(18)7-13(16(19)20)22-15(10)14;/h5-7,9,17H,3-4,8H2,1-2H3,(H,19,20);/q;+1