[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium tetrafluoroborate

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium tetrafluoroborate Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium tetrafluoroborate CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium tetrafluoroborate IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium tetrafluoroborate Formula: C28H31BF4N2O3 MolecularWeight: 530.361953

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C

InChI

InChI=1S/C28H30N2O3.BF4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29H,6-8H2,1-5H3;/q;-1/p+1