(4-butanoyloxyphenyl)-(6-chloranyl-2-phenyl-chromen-4-ylidene)azanium tetrafluoroborate

Systemtic Name: (4-butanoyloxyphenyl)-(6-chloranyl-2-phenyl-chromen-4-ylidene)azanium tetrafluoroborate Openeye Name: (4-butanoyloxyphenyl)-(6-chloro-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate CAS Name: (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-[4-(1-oxobutoxy)phenyl]ammonium tetrafluoroborate IUPAC Name: (4-butanoyloxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium tetrafluoroborate Traditional Name: (4-butyryloxyphenyl)-(6-chloro-2-phenyl-chromen-4-ylidene)ammonium tetrafluoroborate Formula: C25H21BClF4NO3 MolecularWeight: 505.696753

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCC(=O)OC1=CC=C(C=C1)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCCC(=O)OC1=CC=C(C=C1)[NH+]=C2C=C(OC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO3.BF4/c1-2-6-25(28)29-20-12-10-19(11-13-20)27-22-16-24(17-7-4-3-5-8-17)30-23-14-9-18(26)15-21(22)23;2-1(3,4)5/h3-5,7-16H,2,6H2,1H3;/q;-1/p+1