4-azanylbenzoic acid; ethane-1,2-diol; 16-methylheptadecanoic acid; titanium

Systemtic Name: 4-azanylbenzoic acid; ethane-1,2-diol; 16-methylheptadecanoic acid; titanium Openeye Name: 4-aminobenzoic acid; ethylene glycol; 16-methylheptadecanoic acid; titanium CAS Name: 4-aminobenzoic acid; ethane-1,2-diol; 16-methylheptadecanoic acid; titanium IUPAC Name: 4-aminobenzoic acid; ethane-1,2-diol; 16-methylheptadecanoic acid; titanium Traditional Name: 4-aminobenzoic acid; ethylene glycol; 16-methylheptadecanoic acid; titanium Formula: C27H49NO6Ti MolecularWeight: 531.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)O.C1=CC(=CC=C1C(=O)O)N.C(CO)O.[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O.C1=CC(=CC=C1C(=O)O)N.C(CO)O.[Ti]

InChI

InChI=1S/C18H36O2.C7H7NO2.C2H6O2.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;8-6-3-1-5(2-4-6)7(9)10;3-1-2-4;/h17H,3-16H2,1-2H3,(H,19,20);1-4H,8H2,(H,9,10);3-4H,1-2H2;