4-butyl-6-chloranyl-7-[(4-ethenylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(4-ethenylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(4-vinylphenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(4-ethenylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(4-ethenylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(4-vinylbenzyl)oxy-coumarin Formula: C22H21ClO3 MolecularWeight: 368.85334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)C=C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)C=C

InChI

InChI=1S/C22H21ClO3/c1-3-5-6-17-11-22(24)26-20-13-21(19(23)12-18(17)20)25-14-16-9-7-15(4-2)8-10-16/h4,7-13H,2-3,5-6,14H2,1H3