(2E,3R)-2-hexylidene-3-methyl-6,8,9-tris(oxidanyl)-3,4-dihydroanthracen-1-one

Systemtic Name: (2E,3R)-2-hexylidene-3-methyl-6,8,9-tris(oxidanyl)-3,4-dihydroanthracen-1-one Openeye Name: (2E,3R)-2-hexylidene-6,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1-one CAS Name: (2E,3R)-2-hexylidene-6,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1-one IUPAC Name: (2E,3R)-2-hexylidene-6,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1-one Traditional Name: (2E,3R)-2-hexylidene-6,8,9-trihydroxy-3-methyl-3,4-dihydroanthracen-1-one Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C1C(CC2=C(C1=O)C(=C3C(=C2)C=C(C=C3O)O)O)C

Isomeric SMILES

CCCCC/C=C/1\[C@@H](CC2=C(C1=O)C(=C3C(=C2)C=C(C=C3O)O)O)C

InChI

InChI=1S/C21H24O4/c1-3-4-5-6-7-16-12(2)8-13-9-14-10-15(22)11-17(23)18(14)21(25)19(13)20(16)24/h7,9-12,22-23,25H,3-6,8H2,1-2H3/b16-7+/t12-/m1/s1