16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium

Systemtic Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium Openeye Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium CAS Name: 16-methylheptadecanoic acid; phthalic acid; 2-propanol; titanium IUPAC Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium Traditional Name: 16-methylheptadecanoic acid; phthalic acid; propan-2-ol; titanium Formula: C86H166O14Ti2 MolecularWeight: 1519.96384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.CC(C)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.[Ti].[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.CC(C)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.[Ti].[Ti]

InChI

InChI=1S/4C18H36O2.C8H6O4.2C3H8O.2Ti/c4*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-3(2)4;;/h4*17H,3-16H2,1-2H3,(H,19,20);1-4H,(H,9,10)(H,11,12);2*3-4H,1-2H3;;