bis(oxidanyl)-oxidanylidene-titanium; oxaldehydoyl 2-(4-aminophenyl)carbonyl-16-methyl-heptadecanoate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; oxaldehydoyl 2-(4-aminophenyl)carbonyl-16-methyl-heptadecanoate Openeye Name: dihydroxy(oxo)titanium; oxaldehydoyl 2-(4-aminobenzoyl)-16-methyl-heptadecanoate CAS Name: 2-[(4-aminophenyl)-oxomethyl]-16-methylheptadecanoic acid oxaldehydoyl ester; dihydroxy(oxo)titanium IUPAC Name: dihydroxy(oxo)titanium; oxaldehydoyl 2-(4-aminobenzoyl)-16-methylheptadecanoate Traditional Name: 2-(4-aminobenzoyl)-16-methyl-heptadecanoic acid glyoxyloyl ester; dihydroxy(keto)titanium Formula: C27H43NO8Ti MolecularWeight: 557.49922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO5.2H2O.O.Ti/c1-21(2)14-12-10-8-6-4-3-5-7-9-11-13-15-24(27(32)33-25(30)20-29)26(31)22-16-18-23(28)19-17-22;;;;/h16-21,24H,3-15,28H2,1-2H3;2*1H2;;/q;;;;+2/p-2