tert-butyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate

Systemtic Name: tert-butyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate Openeye Name: tert-butyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: tert-butyl-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: tert-butyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: tert-butyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate Formula: C20H22ClNO7 MolecularWeight: 423.84418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]=C1C=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)[NH+]=C1C=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21NO3.ClHO4/c1-20(2,3)21-17-12-19(13-5-8-15(23-4)9-6-13)24-18-10-7-14(22)11-16(17)18;2-1(3,4)5/h5-12,22H,1-4H3;(H,2,3,4,5)