8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate

Systemtic Name: 8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 8-(4-morpholin-4-iumylmethyl)-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 4-keto-8-(morpholin-4-ium-4-ylmethyl)-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C24H25NO7 MolecularWeight: 439.4578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C24H25NO7/c1-2-11-30-24(28)16-3-5-17(6-4-16)32-21-15-31-23-18(22(21)27)7-8-20(26)19(23)14-25-9-12-29-13-10-25/h3-8,15,26H,2,9-14H2,1H3