[3-[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-bis(phenylmethyl)azanium

Systemtic Name: [3-[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[3-[3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl]oxy-2-hydroxy-propyl]ammonium CAS Name: [3-[[3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]-2-hydroxypropyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[3-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxy-2-hydroxypropyl]azanium Traditional Name: dibenzyl-[3-[3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl]oxy-2-hydroxy-propyl]ammonium Formula: C36H38NO5+ MolecularWeight: 564.69062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C36H37NO5/c1-36(2,3)28-14-16-30(17-15-28)42-34-25-41-33-20-31(18-19-32(33)35(34)39)40-24-29(38)23-37(21-26-10-6-4-7-11-26)22-27-12-8-5-9-13-27/h4-20,25,29,38H,21-24H2,1-3H3/p+1