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

Systemtic Name: 1-[2-(4-bromophenyl)ethynyl]-3-butyl-1H-isochromene Openeye Name: 1-[2-(4-bromophenyl)ethynyl]-3-butyl-1H-isochromene CAS Name: 1-[2-(4-bromophenyl)ethynyl]-3-butyl-1H-2-benzopyran IUPAC Name: 1-[2-(4-bromophenyl)ethynyl]-3-butyl-1H-isochromene Traditional Name: 1-[2-(4-bromophenyl)ethynyl]-3-butyl-1H-isochromene Formula: C21H19BrO MolecularWeight: 367.27896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(O1)C#CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(O1)C#CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrO/c1-2-3-7-19-15-17-6-4-5-8-20(17)21(23-19)14-11-16-9-12-18(22)13-10-16/h4-6,8-10,12-13,15,21H,2-3,7H2,1H3