2-(4-aminophenyl)carbonyl-16-methyl-heptadecanoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 2-(4-aminophenyl)carbonyl-16-methyl-heptadecanoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 2-(4-aminobenzoyl)-16-methyl-heptadecanoic acid; hydroxy(oxo)titanium CAS Name: 2-[(4-aminophenyl)-oxomethyl]-16-methylheptadecanoic acid; hydroxy(oxo)titanium IUPAC Name: 2-(4-aminobenzoyl)-16-methylheptadecanoic acid; hydroxy(oxo)titanium Traditional Name: 2-(4-aminobenzoyl)-16-methyl-heptadecanoic acid; hydroxy(keto)titanium Formula: C25H42NO5Ti MolecularWeight: 484.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)N)C(=O)O.O[Ti]=O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)N)C(=O)O.O[Ti]=O

InChI

InChI=1S/C25H41NO3.H2O.O.Ti/c1-20(2)14-12-10-8-6-4-3-5-7-9-11-13-15-23(25(28)29)24(27)21-16-18-22(26)19-17-21;;;/h16-20,23H,3-15,26H2,1-2H3,(H,28,29);1H2;;/q;;;+1/p-1