4-azanylbenzoate; propan-2-olate; titanium(2+)

Systemtic Name: 4-azanylbenzoate; propan-2-olate; titanium(2+) Openeye Name: 4-aminobenzoate; propan-2-olate; titanium(2+) CAS Name: 4-aminobenzoate; 2-propanolate; titanium(2+) IUPAC Name: 4-aminobenzoate; propan-2-olate; titanium(2+) Traditional Name: 4-aminobenzoate; propan-2-olate; titanium(2+) Formula: C34H38N4O10Ti-4 MolecularWeight: 710.55332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.[Ti+2]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.[Ti+2]

InChI

InChI=1S/4C7H7NO2.2C3H7O.Ti/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-3(2)4;/h4*1-4H,8H2,(H,9,10);2*3H,1-2H3;/q;;;;2*-1;+2/p-4