octadecan-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid

Systemtic Name: octadecan-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid Openeye Name: acrylic acid; octadecan-1-one; oxotitanium; propane CAS Name: 1-octadecanone; oxotitanium; propane; 2-propenoic acid IUPAC Name: octadecan-1-one; oxotitanium; propane; prop-2-enoic acid Traditional Name: acrylic acid; ketotitanium; octadecan-1-one; propane Formula: C27H50O6Ti-2 MolecularWeight: 518.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35O.2C3H4O2.C3H7.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-2-3(4)5;1-3-2;;/h2-17H2,1H3;2*2H,1H2,(H,4,5);3H,1-2H3;;/q-1;;;-1;;