4-(3-methyl-3-oxidanyl-butyl)-1,3,5-tris(oxidanyl)xanthen-9-one

Systemtic Name: 4-(3-methyl-3-oxidanyl-butyl)-1,3,5-tris(oxidanyl)xanthen-9-one Openeye Name: 1,3,5-trihydroxy-4-(3-hydroxy-3-methyl-butyl)xanthen-9-one CAS Name: 1,3,5-trihydroxy-4-(3-hydroxy-3-methylbutyl)-9-xanthenone IUPAC Name: 1,3,5-trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthen-9-one Traditional Name: 1,3,5-trihydroxy-4-(3-hydroxy-3-methyl-butyl)xanthone Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=C(C=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O)O

Isomeric SMILES

CC(C)(CCC1=C(C=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O)O

InChI

InChI=1S/C18H18O6/c1-18(2,23)7-6-9-12(20)8-13(21)14-15(22)10-4-3-5-11(19)16(10)24-17(9)14/h3-5,8,19-21,23H,6-7H2,1-2H3