6-chloranyl-3-hexyl-4-methyl-7-phenacyloxy-chromen-2-one

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-phenacyloxy-chromen-2-one Openeye Name: 6-chloro-3-hexyl-4-methyl-7-phenacyloxy-chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-phenacyloxychromen-2-one Traditional Name: 6-chloro-3-hexyl-4-methyl-7-phenacyloxy-coumarin Formula: C24H25ClO4 MolecularWeight: 412.9059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClO4/c1-3-4-5-9-12-18-16(2)19-13-20(25)23(14-22(19)29-24(18)27)28-15-21(26)17-10-7-6-8-11-17/h6-8,10-11,13-14H,3-5,9,12,15H2,1-2H3