3-(4-tert-butylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-tert-butylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-tert-butylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-tert-butylphenoxy)-8-[(dipropylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-tert-butylphenoxy)-8-[(dipropylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-tert-butylphenoxy)-8-[(dipropylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C27H32F3NO4 MolecularWeight: 491.54249

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(C)(C)C)C(F)(F)F)[O-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(C)(C)C)C(F)(F)F)[O-]

InChI

InChI=1S/C27H32F3NO4/c1-6-14-31(15-7-2)16-20-21(32)13-12-19-22(33)24(25(27(28,29)30)35-23(19)20)34-18-10-8-17(9-11-18)26(3,4)5/h8-13,32H,6-7,14-16H2,1-5H3