phenyl-[3-phenyl-2-(phenylcarbonyl)phenyl]methanone hydrate

Systemtic Name: phenyl-[3-phenyl-2-(phenylcarbonyl)phenyl]methanone hydrate Openeye Name: (2-benzoyl-3-phenyl-phenyl)-phenyl-methanone hydrate CAS Name: (2-benzoyl-3-phenylphenyl)-phenylmethanone hydrate IUPAC Name: (2-benzoyl-3-phenylphenyl)-phenylmethanone hydrate Traditional Name: (2-benzoyl-3-phenyl-phenyl)-phenyl-methanone hydrate Formula: C52H38O5 MolecularWeight: 742.85512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H18O2.H2O/c2*27-25(20-13-6-2-7-14-20)23-18-10-17-22(19-11-4-1-5-12-19)24(23)26(28)21-15-8-3-9-16-21;/h2*1-18H;1H2