2-hexanoyl-6-methoxy-1,3,8-tris(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-hexanoyl-6-methoxy-1,3,8-tris(oxidanyl)anthracene-9,10-dione Openeye Name: 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-anthracene-9,10-dione CAS Name: 1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)anthracene-9,10-dione IUPAC Name: 2-hexanoyl-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione Traditional Name: 2-caproyl-1,3,8-trihydroxy-6-methoxy-9,10-anthraquinone Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)OC)O)O

Isomeric SMILES

CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)OC)O)O

InChI

InChI=1S/C21H20O7/c1-3-4-5-6-13(22)18-15(24)9-12-17(21(18)27)20(26)16-11(19(12)25)7-10(28-2)8-14(16)23/h7-9,23-24,27H,3-6H2,1-2H3