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

Systemtic Name: 2-(4-chloranyl-3-methoxy-phenyl)-8-(3-methyl-3-oxidanyl-butyl)-3,5,7-tris(oxidanyl)chromen-4-one Openeye Name: 2-(4-chloro-3-methoxy-phenyl)-3,5,7-trihydroxy-8-(3-hydroxy-3-methyl-butyl)chromen-4-one CAS Name: 2-(4-chloro-3-methoxyphenyl)-3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-1-benzopyran-4-one IUPAC Name: 2-(4-chloro-3-methoxyphenyl)-3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)chromen-4-one Traditional Name: 2-(4-chloro-3-methoxy-phenyl)-3,5,7-trihydroxy-8-(3-hydroxy-3-methyl-butyl)chromone Formula: C21H21ClO7 MolecularWeight: 420.84024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO7/c1-21(2,27)7-6-11-13(23)9-14(24)16-17(25)18(26)19(29-20(11)16)10-4-5-12(22)15(8-10)28-3/h4-5,8-9,23-24,26-27H,6-7H2,1-3H3