4-chloranyl-2-methyl-1-phenyl-benzene hydrate

Systemtic Name: 4-chloranyl-2-methyl-1-phenyl-benzene hydrate Openeye Name: 4-chloro-2-methyl-1-phenyl-benzene hydrate CAS Name: 4-chloro-2-methyl-1-phenylbenzene hydrate IUPAC Name: 4-chloro-2-methyl-1-phenylbenzene hydrate Traditional Name: 4-chloro-2-methyl-1-phenyl-benzene hydrate Formula: C26H24Cl2O MolecularWeight: 423.37416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H11Cl.H2O/c2*1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;/h2*2-9H,1H3;1H2