(4aS,9aR)-2,3,9a-trimethyl-5-oxidanyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium

Systemtic Name: (4aS,9aR)-2,3,9a-trimethyl-5-oxidanyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium Openeye Name: (4aS,9aR)-5-hydroxy-2,3,9a-trimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium CAS Name: (4aS,9aR)-5-hydroxy-2,3,9a-trimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; 2-propanol; titanium IUPAC Name: (4aS,9aR)-5-hydroxy-2,3,9a-trimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium Traditional Name: (4aS,9aR)-5-hydroxy-2,3,9a-trimethyl-4,4a-dihydro-1H-anthracene-9,10-quinone; propan-2-ol; titanium Formula: C40H52O8Ti MolecularWeight: 708.70308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C(C1)C(=O)C3=C(C2=O)C=CC=C3O)C)C.CC1=C(CC2(C(C1)C(=O)C3=C(C2=O)C=CC=C3O)C)C.CC(C)O.CC(C)O.[Ti]

Isomeric SMILES

CC1=C(C[C@@]2([C@H](C1)C(=O)C3=C(C2=O)C=CC=C3O)C)C.CC1=C(C[C@@]2([C@H](C1)C(=O)C3=C(C2=O)C=CC=C3O)C)C.CC(C)O.CC(C)O.[Ti]

InChI

InChI=1S/2C17H18O3.2C3H8O.Ti/c2*1-9-7-12-15(19)14-11(5-4-6-13(14)18)16(20)17(12,3)8-10(9)2;2*1-3(2)4;/h2*4-6,12,18H,7-8H2,1-3H3;2*3-4H,1-2H3;/t2*12-,17-;;;/m11.../s1