methanal; 2-methylidene-4-phenyl-butanoate; tungsten

Systemtic Name: methanal; 2-methylidene-4-phenyl-butanoate; tungsten Openeye Name: formaldehyde; 2-methylene-4-phenyl-butanoate; tungsten CAS Name: formaldehyde; 2-methylene-4-phenylbutanoate; tungsten IUPAC Name: formaldehyde; 2-methylidene-4-phenylbutanoate; tungsten Traditional Name: formaldehyde; 2-phenethylacrylate; tungsten Formula: C69H72O15W-6 MolecularWeight: 1325.14098

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=O.C=O.C=O.[W]

Isomeric SMILES

C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=C(CCC1=CC=CC=C1)C(=O)[O-].C=O.C=O.C=O.[W]

InChI

InChI=1S/6C11H12O2.3CH2O.W/c6*1-9(11(12)13)7-8-10-5-3-2-4-6-10;3*1-2;/h6*2-6H,1,7-8H2,(H,12,13);3*1H2;/p-6