4-[(4-tert-butylphenoxy)methyl]-6-chloranyl-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(4-tert-butylphenoxy)methyl]-6-chloranyl-5,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-tert-butylphenoxy)methyl]-6-chloro-5,7-dimethyl-chromen-2-one CAS Name: 4-[(4-tert-butylphenoxy)methyl]-6-chloro-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-tert-butylphenoxy)methyl]-6-chloro-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-tert-butylphenoxy)methyl]-6-chloro-5,7-dimethyl-coumarin Formula: C22H23ClO3 MolecularWeight: 370.86922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H23ClO3/c1-13-10-18-20(14(2)21(13)23)15(11-19(24)26-18)12-25-17-8-6-16(7-9-17)22(3,4)5/h6-11H,12H2,1-5H3