3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-isochromene

Systemtic Name: 3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-isochromene Openeye Name: 3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-isochromene CAS Name: 3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-2-benzopyran IUPAC Name: 3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-isochromene Traditional Name: 3-tert-butyl-1-[2-(4-methoxyphenyl)ethynyl]-1H-isochromene Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC=CC=C2C(O1)C#CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC2=CC=CC=C2C(O1)C#CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22O2/c1-22(2,3)21-15-17-7-5-6-8-19(17)20(24-21)14-11-16-9-12-18(23-4)13-10-16/h5-10,12-13,15,20H,1-4H3