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

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one Traditional Name: 6-chloro-3-hexyl-4-methyl-7-(3,4,5-trimethoxybenzyl)oxy-coumarin Formula: C26H31ClO6 MolecularWeight: 474.97374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClO6/c1-6-7-8-9-10-18-16(2)19-13-20(27)22(14-21(19)33-26(18)28)32-15-17-11-23(29-3)25(31-5)24(12-17)30-4/h11-14H,6-10,15H2,1-5H3