2-(2-oxidanylidene-1,2-diphenyl-ethoxy)-1,2-diphenyl-ethanone hydrate

Systemtic Name: 2-(2-oxidanylidene-1,2-diphenyl-ethoxy)-1,2-diphenyl-ethanone hydrate Openeye Name: 2-(2-oxo-1,2-diphenyl-ethoxy)-1,2-diphenyl-ethanone hydrate CAS Name: 2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone hydrate IUPAC Name: 2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone hydrate Traditional Name: 2-desyloxy-1,2-diphenyl-ethanone hydrate Formula: C56H46O7 MolecularWeight: 830.96024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.O

InChI

InChI=1S/2C28H22O3.H2O/c2*29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)31-28(24-19-11-4-12-20-24)26(30)22-15-7-2-8-16-22;/h2*1-20,27-28H;1H2