butane; oxidanylidenetitanium; prop-2-enoic acid

Systemtic Name: butane; oxidanylidenetitanium; prop-2-enoic acid Openeye Name: acrylic acid; butane; oxotitanium CAS Name: butane; oxotitanium; 2-propenoic acid IUPAC Name: butane; oxotitanium; prop-2-enoic acid Traditional Name: acrylic acid; butane; ketotitanium Formula: C14H26O5Ti-2 MolecularWeight: 322.22024

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].C=CC(=O)O.C=CC(=O)O.O=[Ti]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].C=CC(=O)O.C=CC(=O)O.O=[Ti]

InChI

InChI=1S/2C4H9.2C3H4O2.O.Ti/c2*1-3-4-2;2*1-2-3(4)5;;/h2*1,3-4H2,2H3;2*2H,1H2,(H,4,5);;/q2*-1;;;;