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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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