sodium 8-[3-(2-butylphenoxy)propoxy]-4-oxidanylidene-chromene-2-carboxylate hydrate

Systemtic Name: sodium 8-[3-(2-butylphenoxy)propoxy]-4-oxidanylidene-chromene-2-carboxylate hydrate Openeye Name: sodium 8-[3-(2-butylphenoxy)propoxy]-4-oxo-chromene-2-carboxylate hydrate CAS Name: sodium 8-[3-(2-butylphenoxy)propoxy]-4-oxo-1-benzopyran-2-carboxylate hydrate IUPAC Name: sodium 8-[3-(2-butylphenoxy)propoxy]-4-oxochromene-2-carboxylate hydrate Traditional Name: sodium 8-[3-(2-butylphenoxy)propoxy]-4-keto-chromene-2-carboxylate hydrate Formula: C23H25NaO7 MolecularWeight: 436.43017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OCCCOC2=CC=CC3=C2OC(=CC3=O)C(=O)[O-].O.[Na+]

Isomeric SMILES

CCCCC1=CC=CC=C1OCCCOC2=CC=CC3=C2OC(=CC3=O)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C23H24O6.Na.H2O/c1-2-3-8-16-9-4-5-11-19(16)27-13-7-14-28-20-12-6-10-17-18(24)15-21(23(25)26)29-22(17)20;;/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3,(H,25,26);;1H2/q;+1;/p-1