2-bromanyl-1-methoxy-4-phenyl-benzene hydrate

Systemtic Name: 2-bromanyl-1-methoxy-4-phenyl-benzene hydrate Openeye Name: 2-bromo-1-methoxy-4-phenyl-benzene hydrate CAS Name: 2-bromo-1-methoxy-4-phenylbenzene hydrate IUPAC Name: 2-bromo-1-methoxy-4-phenylbenzene hydrate Traditional Name: 2-bromo-1-methoxy-4-phenyl-benzene hydrate Formula: C26H24Br2O3 MolecularWeight: 544.27496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)Br.COC1=C(C=C(C=C1)C2=CC=CC=C2)Br.O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)Br.COC1=C(C=C(C=C1)C2=CC=CC=C2)Br.O

InChI

InChI=1S/2C13H11BrO.H2O/c2*1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10;/h2*2-9H,1H3;1H2