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

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-6-chloro-3-hexyl-4-methyl-chromen-2-one CAS Name: 6-chloro-3-hexyl-4-methyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-4-methyl-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-6-chloro-3-hexyl-4-methyl-coumarin Formula: C23H25ClO3 MolecularWeight: 384.8958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClO3/c1-3-4-5-9-12-18-16(2)19-13-20(24)22(14-21(19)27-23(18)25)26-15-17-10-7-6-8-11-17/h6-8,10-11,13-14H,3-5,9,12,15H2,1-2H3