ethane-1,2-diol; 1-phenylbutan-1-one

Systemtic Name: ethane-1,2-diol; 1-phenylbutan-1-one Openeye Name: ethylene glycol; 1-phenylbutan-1-one CAS Name: ethane-1,2-diol; 1-phenyl-1-butanone IUPAC Name: ethane-1,2-diol; 1-phenylbutan-1-one Traditional Name: ethylene glycol; 1-phenylbutan-1-one Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1.C(CO)O

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1.C(CO)O

InChI

InChI=1S/C10H12O.C2H6O2/c1-2-6-10(11)9-7-4-3-5-8-9;3-1-2-4/h3-5,7-8H,2,6H2,1H3;3-4H,1-2H2