6-chloranyl-7-[(2,5-dimethylphenyl)methoxy]-3-hexyl-4-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-7-[(2,5-dimethylphenyl)methoxy]-3-hexyl-4-methyl-chromen-2-one Openeye Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-3-hexyl-4-methyl-chromen-2-one CAS Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-3-hexyl-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-3-hexyl-4-methylchromen-2-one Traditional Name: 6-chloro-7-(2,5-dimethylbenzyl)oxy-3-hexyl-4-methyl-coumarin Formula: C25H29ClO3 MolecularWeight: 412.94896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClO3/c1-5-6-7-8-9-20-18(4)21-13-22(26)24(14-23(21)29-25(20)27)28-15-19-12-16(2)10-11-17(19)3/h10-14H,5-9,15H2,1-4H3