2-chloranyl-1-methoxy-4-methyl-benzene; (2-phenylchromen-4-ylidene)azanium; tetrafluoroborate

Systemtic Name: 2-chloranyl-1-methoxy-4-methyl-benzene; (2-phenylchromen-4-ylidene)azanium; tetrafluoroborate Openeye Name: 2-chloro-1-methoxy-4-methyl-benzene; (2-phenylchromen-4-ylidene)ammonium; tetrafluoroborate CAS Name: 2-chloro-1-methoxy-4-methylbenzene; (2-phenyl-1-benzopyran-4-ylidene)ammonium; tetrafluoroborate IUPAC Name: 2-chloro-1-methoxy-4-methylbenzene; (2-phenylchromen-4-ylidene)azanium; tetrafluoroborate Traditional Name: 2-chloro-1-methoxy-4-methyl-benzene; (2-phenylchromen-4-ylidene)ammonium; tetrafluoroborate Formula: C23H21BClF4NO2 MolecularWeight: 465.675953

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=C(C=C1)OC)Cl.C1=CC=C(C=C1)C2=CC(=[NH2+])C3=CC=CC=C3O2

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=C(C=C1)OC)Cl.C1=CC=C(C=C1)C2=CC(=[NH2+])C3=CC=CC=C3O2

InChI

InChI=1S/C15H11NO.C8H9ClO.BF4/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-6-3-4-8(10-2)7(9)5-6;2-1(3,4)5/h1-10,16H;3-5H,1-2H3;/q;;-1/p+1