[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate tetrafluoroborate

Systemtic Name: [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate tetrafluoroborate Openeye Name: [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] benzoate tetrafluoroborate CAS Name: benzoic acid [3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl] ester tetrafluoroborate IUPAC Name: [3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl] benzoate tetrafluoroborate Traditional Name: benzoic acid [3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl] ester tetrafluoroborate Formula: C26H26BF4N2O3- MolecularWeight: 501.300853

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2OC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2OC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H26N2O3.BF4/c1-5-27-21-14-23-19(12-16(21)3)25(31-26(29)18-10-8-7-9-11-18)20-13-17(4)22(28-6-2)15-24(20)30-23;2-1(3,4)5/h7-15,27H,5-6H2,1-4H3;/q;-1