4-azanyl-2-(16-methylheptadecanoyl)benzoic acid; oxidanyl(oxidanylidene)titanium; propane

Systemtic Name: 4-azanyl-2-(16-methylheptadecanoyl)benzoic acid; oxidanyl(oxidanylidene)titanium; propane Openeye Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid; hydroxy(oxo)titanium; propane CAS Name: 4-amino-2-(16-methyl-1-oxoheptadecyl)benzoic acid; hydroxy(oxo)titanium; propane IUPAC Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid; hydroxy(oxo)titanium; propane Traditional Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid; hydroxy(keto)titanium; propane Formula: C31H56NO5Ti-2 MolecularWeight: 570.64704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3.2C3H7.H2O.O.Ti/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(27)23-19-21(26)17-18-22(23)25(28)29;2*1-3-2;;;/h17-20H,3-16,26H2,1-2H3,(H,28,29);2*3H,1-2H3;1H2;;/q;2*-1;;;+1/p-1