2-(4-chloranyl-3-methoxy-phenyl)-8-(3-methyl-3-oxidanyl-butyl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(4-chloranyl-3-methoxy-phenyl)-8-(3-methyl-3-oxidanyl-butyl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(4-chloro-3-methoxy-phenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methyl-butyl)chromen-4-one CAS Name: 2-(4-chloro-3-methoxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-1-benzopyran-4-one IUPAC Name: 2-(4-chloro-3-methoxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)chromen-4-one Traditional Name: 2-(4-chloro-3-methoxy-phenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methyl-butyl)chromone Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC(=C(C=C3)Cl)OC)O)O)O

Isomeric SMILES

CC(C)(CCC1=C(C=C(C2=C1OC(=CC2=O)C3=CC(=C(C=C3)Cl)OC)O)O)O

InChI

InChI=1S/C21H21ClO6/c1-21(2,26)7-6-12-14(23)9-15(24)19-16(25)10-17(28-20(12)19)11-4-5-13(22)18(8-11)27-3/h4-5,8-10,23-24,26H,6-7H2,1-3H3