3-methyl-2-[(4S)-4-methyl-3-oxidanylidene-hexanoyl]-1-oxidanyl-anthracene-9,10-dione

Systemtic Name: 3-methyl-2-[(4S)-4-methyl-3-oxidanylidene-hexanoyl]-1-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-3-methyl-2-[(4S)-4-methyl-3-oxo-hexanoyl]anthracene-9,10-dione CAS Name: 1-hydroxy-3-methyl-2-[(4S)-4-methyl-1,3-dioxohexyl]anthracene-9,10-dione IUPAC Name: 1-hydroxy-3-methyl-2-[(4S)-4-methyl-3-oxohexanoyl]anthracene-9,10-dione Traditional Name: 1-hydroxy-2-[(4S)-3-keto-4-methyl-hexanoyl]-3-methyl-9,10-anthraquinone Formula: C22H20O5 MolecularWeight: 364.3912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)CC(=O)C1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC[C@H](C)C(=O)CC(=O)C1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H20O5/c1-4-11(2)16(23)10-17(24)18-12(3)9-15-19(22(18)27)21(26)14-8-6-5-7-13(14)20(15)25/h5-9,11,27H,4,10H2,1-3H3/t11-/m0/s1