aniline; aniline; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate

Systemtic Name: aniline; aniline; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate Openeye Name: aniline; aniline; 2-methanidyl-2-methyl-propane; oxotitanium; prop-1-ene; dihydroxide; hydrate CAS Name: aniline; aniline; 2-methanidyl-2-methylpropane; oxotitanium; 1-propene; dihydroxide; hydrate IUPAC Name: aniline; aniline; 2-methanidyl-2-methylpropane; oxotitanium; prop-1-ene; dihydroxide; hydrate Traditional Name: ketotitanium; 2-methanidyl-2-methyl-propane; phenylamine; phenylamine; prop-1-ene; dihydroxide; hydrate Formula: C29H44N3O4Ti-7 MolecularWeight: 546.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.C1=CC=C(C=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.O.[OH-].[OH-].O=[Ti]

Isomeric SMILES

CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.C1=CC=C(C=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.O.[OH-].[OH-].O=[Ti]

InChI

InChI=1S/C6H7N.2C6H6N.C5H11.2C3H5.3H2O.O.Ti/c3*7-6-4-2-1-3-5-6;1-5(2,3)4;2*1-3-2;;;;;/h1-5H,7H2;2*1-2,4-5H,7H2;1H2,2-4H3;2*3H,1-2H2;3*1H2;;/q;5*-1;;;;;/p-2