methyl hydrogen carbonate; propan-2-ol; [(E)-prop-1-enyl]benzene; titanium

Systemtic Name: methyl hydrogen carbonate; propan-2-ol; [(E)-prop-1-enyl]benzene; titanium Openeye Name: methyl hydrogen carbonate; propan-2-ol; [(E)-prop-1-enyl]benzene; titanium CAS Name: carbonic acid methyl ester; 2-propanol; [(E)-prop-1-enyl]benzene; titanium IUPAC Name: methyl hydrogen carbonate; propan-2-ol; [(E)-prop-1-enyl]benzene; titanium Traditional Name: carbonic acid methyl ester; propan-2-ol; [(E)-prop-1-enyl]benzene; titanium Formula: C17H29O5Ti- MolecularWeight: 361.27616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.COC(=O)O.[CH2-]C=CC1=CC=CC=C1.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.COC(=O)O.[CH2-]/C=C/C1=CC=CC=C1.[Ti]

InChI

InChI=1S/C9H9.2C3H8O.C2H4O3.Ti/c1-2-6-9-7-4-3-5-8-9;2*1-3(2)4;1-5-2(3)4;/h2-8H,1H2;2*3-4H,1-2H3;1H3,(H,3,4);/q-1;;;;/b6-2+;;;;