carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate

Systemtic Name: carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate Openeye Name: carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium tetrafluoroborate CAS Name: carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium tetrafluoroborate IUPAC Name: carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate Traditional Name: carboxymethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium tetrafluoroborate Formula: C20H20BF4NO4 MolecularWeight: 425.181713

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CC(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19NO4.BF4/c1-3-13-4-9-18-16(10-13)17(21-12-20(22)23)11-19(25-18)14-5-7-15(24-2)8-6-14;2-1(3,4)5/h4-11H,3,12H2,1-2H3,(H,22,23);/q;-1/p+1