1,2-diphenylethanone hydrate

Systemtic Name: 1,2-diphenylethanone hydrate Openeye Name: 1,2-diphenylethanone hydrate CAS Name: 1,2-diphenylethanone hydrate IUPAC Name: 1,2-diphenylethanone hydrate Traditional Name: deoxybenzoin hydrate Formula: C28H26O3 MolecularWeight: 410.50424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H12O.H2O/c2*15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h2*1-10H,11H2;1H2