[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; propan-2-ol; titanium

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; propan-2-ol; titanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] acetate; propan-2-ol; titanium CAS Name: acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester; 2-propanol; titanium IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate; propan-2-ol; titanium Traditional Name: acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester; propan-2-ol; titanium Formula: C21H45O5Ti- MolecularWeight: 425.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)[CH2-])C(C)C.CC(C)O.CC(C)O.CC(C)O.[Ti]

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[CH2-])C(C)C.CC(C)O.CC(C)O.CC(C)O.[Ti]

InChI

InChI=1S/C12H21O2.3C3H8O.Ti/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13;3*1-3(2)4;/h8-9,11-12H,4-7H2,1-3H3;3*3-4H,1-2H3;/q-1;;;;/t9-,11+,12-;;;;/m0..../s1