(4aS,9aR)-2-methyl-5-oxidanyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione; propan-2-ol; titanium

Systemtic Name: (4aS,9aR)-2-methyl-5-oxidanyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione; propan-2-ol; titanium Openeye Name: (4aS,9aR)-5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione; propan-2-ol; titanium CAS Name: (4aS,9aR)-5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione; 2-propanol; titanium IUPAC Name: (4aS,9aR)-5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione; propan-2-ol; titanium Traditional Name: (4aS,9aR)-5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-quinone; propan-2-ol; titanium Formula: C36H44O8Ti MolecularWeight: 652.59676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)C3=C(C2=O)C(=CC=C3)O.CC1=CCC2C(C1)C(=O)C3=C(C2=O)C(=CC=C3)O.CC(C)O.CC(C)O.[Ti]

Isomeric SMILES

CC1=CC[C@H]2[C@@H](C1)C(=O)C3=C(C2=O)C(=CC=C3)O.CC1=CC[C@H]2[C@@H](C1)C(=O)C3=C(C2=O)C(=CC=C3)O.CC(C)O.CC(C)O.[Ti]

InChI

InChI=1S/2C15H14O3.2C3H8O.Ti/c2*1-8-5-6-9-11(7-8)14(17)10-3-2-4-12(16)13(10)15(9)18;2*1-3(2)4;/h2*2-5,9,11,16H,6-7H2,1H3;2*3-4H,1-2H3;/t2*9-,11+;;;/m00.../s1