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

Systemtic Name: 6-chloranyl-7-[(4-ethenylphenyl)methoxy]-3-hexyl-4-methyl-chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-[(4-vinylphenyl)methoxy]chromen-2-one CAS Name: 6-chloro-7-[(4-ethenylphenyl)methoxy]-3-hexyl-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[(4-ethenylphenyl)methoxy]-3-hexyl-4-methylchromen-2-one Traditional Name: 6-chloro-3-hexyl-4-methyl-7-(4-vinylbenzyl)oxy-coumarin Formula: C25H27ClO3 MolecularWeight: 410.93308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClO3/c1-4-6-7-8-9-20-17(3)21-14-22(26)24(15-23(21)29-25(20)27)28-16-19-12-10-18(5-2)11-13-19/h5,10-15H,2,4,6-9,16H2,1,3H3