7-[(4-tert-butylphenyl)methoxy]-6-chloranyl-3-hexyl-4-methyl-chromen-2-one

Systemtic Name: 7-[(4-tert-butylphenyl)methoxy]-6-chloranyl-3-hexyl-4-methyl-chromen-2-one Openeye Name: 7-[(4-tert-butylphenyl)methoxy]-6-chloro-3-hexyl-4-methyl-chromen-2-one CAS Name: 7-[(4-tert-butylphenyl)methoxy]-6-chloro-3-hexyl-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(4-tert-butylphenyl)methoxy]-6-chloro-3-hexyl-4-methylchromen-2-one Traditional Name: 7-(4-tert-butylbenzyl)oxy-6-chloro-3-hexyl-4-methyl-coumarin Formula: C27H33ClO3 MolecularWeight: 441.00212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl)C

InChI

InChI=1S/C27H33ClO3/c1-6-7-8-9-10-21-18(2)22-15-23(28)25(16-24(22)31-26(21)29)30-17-19-11-13-20(14-12-19)27(3,4)5/h11-16H,6-10,17H2,1-5H3