2-methylprop-2-en-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid

Systemtic Name: 2-methylprop-2-en-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid Openeye Name: acrylic acid; 2-methylprop-2-en-1-one; oxotitanium; propane CAS Name: 2-methyl-2-propen-1-one; oxotitanium; propane; 2-propenoic acid IUPAC Name: 2-methylprop-2-en-1-one; oxotitanium; propane; prop-2-enoic acid Traditional Name: acrylic acid; ketotitanium; 2-methylprop-2-en-1-one; propane Formula: C17H25O7Ti-3 MolecularWeight: 389.2432

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(=C)[C-]=O.CC(=C)[C-]=O.C=CC(=O)O.C=CC(=O)O.O=[Ti]

Isomeric SMILES

C[CH-]C.CC(=C)[C-]=O.CC(=C)[C-]=O.C=CC(=O)O.C=CC(=O)O.O=[Ti]

InChI

InChI=1S/2C4H5O.2C3H4O2.C3H7.O.Ti/c2*1-4(2)3-5;2*1-2-3(4)5;1-3-2;;/h2*1H2,2H3;2*2H,1H2,(H,4,5);3H,1-2H3;;/q2*-1;;;-1;;