1,1-bis(4-methylphenyl)propan-2-one; propan-2-one; hydrate

Systemtic Name: 1,1-bis(4-methylphenyl)propan-2-one; propan-2-one; hydrate Openeye Name: acetone; 1,1-bis(p-tolyl)propan-2-one; hydrate CAS Name: 1,1-bis(4-methylphenyl)-2-propanone; 2-propanone; hydrate IUPAC Name: 1,1-bis(4-methylphenyl)propan-2-one; propan-2-one; hydrate Traditional Name: acetone; 1,1-bis(p-tolyl)acetone; hydrate Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)C.CC(=O)C.O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(=O)C.CC(=O)C.O

InChI

InChI=1S/C17H18O.C3H6O.H2O/c1-12-4-8-15(9-5-12)17(14(3)18)16-10-6-13(2)7-11-16;1-3(2)4;/h4-11,17H,1-3H3;1-2H3;1H2