benzene; 1-phenylpropan-2-one

Systemtic Name: benzene; 1-phenylpropan-2-one Openeye Name: benzene; 1-phenylpropan-2-one CAS Name: benzene; 1-phenyl-2-propanone IUPAC Name: benzene; 1-phenylpropan-2-one Traditional Name: benzene; 1-phenylacetone Formula: C57H58O MolecularWeight: 759.06982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1

Isomeric SMILES

CC(=O)CC1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1.C1=CC=CC=C1

InChI

InChI=1S/C9H10O.8C6H6/c1-8(10)7-9-5-3-2-4-6-9;8*1-2-4-6-5-3-1/h2-6H,7H2,1H3;8*1-6H