(1S,2S,3S)-3-methyl-1-(3-methylbutyl)-1,8-bis(oxidanyl)-4-oxidanylidene-2,3-dihydroanthracene-2-carboperoxoic acid

Systemtic Name: (1S,2S,3S)-3-methyl-1-(3-methylbutyl)-1,8-bis(oxidanyl)-4-oxidanylidene-2,3-dihydroanthracene-2-carboperoxoic acid Openeye Name: (1S,2S,3S)-1,8-dihydroxy-1-isopentyl-3-methyl-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid CAS Name: (1S,2S,3S)-1,8-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid IUPAC Name: (1S,2S,3S)-1,8-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid Traditional Name: (1S,2S,3S)-1,8-dihydroxy-1-isoamyl-4-keto-3-methyl-2,3-dihydroanthracene-2-carboperoxoic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=C(C1=O)C=C3C=CC=C(C3=C2)O)(CCC(C)C)O)C(=O)OO

Isomeric SMILES

C[C@H]1[C@@H]([C@](C2=C(C1=O)C=C3C=CC=C(C3=C2)O)(CCC(C)C)O)C(=O)OO

InChI

InChI=1S/C21H24O6/c1-11(2)7-8-21(25)16-10-14-13(5-4-6-17(14)22)9-15(16)19(23)12(3)18(21)20(24)27-26/h4-6,9-12,18,22,25-26H,7-8H2,1-3H3/t12-,18+,21+/m0/s1