3-(3-methoxyphenoxy)-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid

Systemtic Name: 3-(3-methoxyphenoxy)-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid Openeye Name: 3-(3-methoxyphenoxy)-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid CAS Name: 3-(3-methoxyphenoxy)-4-(4-oxo-1-benzopyran-7-yl)-4-morpholin-4-iumcarboxylic acid IUPAC Name: 3-(3-methoxyphenoxy)-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid Traditional Name: 4-(4-ketochromen-7-yl)-3-(3-methoxyphenoxy)morpholin-4-ium-4-carboxylic acid Formula: C21H20NO7+ MolecularWeight: 398.386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2COCC[N+]2(C3=CC4=C(C=C3)C(=O)C=CO4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)OC2COCC[N+]2(C3=CC4=C(C=C3)C(=O)C=CO4)C(=O)O

InChI

InChI=1S/C21H19NO7/c1-26-15-3-2-4-16(12-15)29-20-13-27-10-8-22(20,21(24)25)14-5-6-17-18(23)7-9-28-19(17)11-14/h2-7,9,11-12,20H,8,10,13H2,1H3/p+1