3-azanylphenolate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+)

Systemtic Name: 3-azanylphenolate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+) Openeye Name: 3-allyloxy-2-(allyloxymethyl)-2-methyl-propan-1-olate; 3-aminophenolate; titanium(4+) CAS Name: 3-aminophenolate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)-1-propanolate; titanium(4+) IUPAC Name: 3-aminophenolate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+) Traditional Name: 3-allyloxy-2-(allyloxymethyl)-2-methyl-propan-1-olate; 3-aminophenolate; titanium(4+) Formula: C29H37N3O6Ti MolecularWeight: 571.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[O-])(COCC=C)COCC=C.C1=CC(=CC(=C1)[O-])N.C1=CC(=CC(=C1)[O-])N.C1=CC(=CC(=C1)[O-])N.[Ti+4]

Isomeric SMILES

CC(C[O-])(COCC=C)COCC=C.C1=CC(=CC(=C1)[O-])N.C1=CC(=CC(=C1)[O-])N.C1=CC(=CC(=C1)[O-])N.[Ti+4]

InChI

InChI=1S/C11H19O3.3C6H7NO.Ti/c1-4-6-13-9-11(3,8-12)10-14-7-5-2;3*7-5-2-1-3-6(8)4-5;/h4-5H,1-2,6-10H2,3H3;3*1-4,8H,7H2;/q-1;;;;+4/p-3