[3-(3,4-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-fluoranylbenzoate

Systemtic Name: [3-(3,4-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-fluoranylbenzoate Openeye Name: [3-(3,4-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [3-(3,4-dimethylphenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-(3,4-dimethylphenoxy)-4-keto-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C30H26F4NO6+ MolecularWeight: 572.524153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)OC(=O)C5=CC=C(C=C5)F)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)OC(=O)C5=CC=C(C=C5)F)C(F)(F)F)C

InChI

InChI=1S/C30H25F4NO6/c1-17-3-8-21(15-18(17)2)39-27-25(36)22-9-10-24(40-29(37)19-4-6-20(31)7-5-19)23(16-35-11-13-38-14-12-35)26(22)41-28(27)30(32,33)34/h3-10,15H,11-14,16H2,1-2H3/p+1