2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium iodide

Systemtic Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium iodide Openeye Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium iodide CAS Name: 2,4-diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium iodide IUPAC Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium iodide Traditional Name: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium iodide Formula: C21H19IO MolecularWeight: 414.27943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H19O.HI/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;/h1-6,9-12,15H,7-8,13-14H2;1H/q+1;/p-1