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

Systemtic Name: (4aS,9aR)-2,9a-dimethyl-5-oxidanyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium Openeye Name: (4aS,9aR)-5-hydroxy-2,9a-dimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium CAS Name: (4aS,9aR)-5-hydroxy-2,9a-dimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; 2-propanol; titanium IUPAC Name: (4aS,9aR)-5-hydroxy-2,9a-dimethyl-4,4a-dihydro-1H-anthracene-9,10-dione; propan-2-ol; titanium Traditional Name: (4aS,9aR)-5-hydroxy-2,9a-dimethyl-4,4a-dihydro-1H-anthracene-9,10-quinone; propan-2-ol; titanium Formula: C38H48O8Ti MolecularWeight: 680.64992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(=O)C3=C(C=CC=C3O)C(=O)C2(C1)C.CC1=CCC2C(=O)C3=C(C=CC=C3O)C(=O)C2(C1)C.CC(C)O.CC(C)O.[Ti]

Isomeric SMILES

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

InChI

InChI=1S/2C16H16O3.2C3H8O.Ti/c2*1-9-6-7-11-14(18)13-10(4-3-5-12(13)17)15(19)16(11,2)8-9;2*1-3(2)4;/h2*3-6,11,17H,7-8H2,1-2H3;2*3-4H,1-2H3;/t2*11-,16-;;;/m11.../s1