1-bromanyl-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)cyclohexa-1,5-dien-1-yl]benzene

Systemtic Name: 1-bromanyl-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)cyclohexa-1,5-dien-1-yl]benzene Openeye Name: 1-bromo-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)cyclohexa-1,5-dien-1-yl]benzene CAS Name: 1-bromo-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)-1-cyclohexa-1,5-dienyl]benzene IUPAC Name: 1-bromo-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)cyclohexa-1,5-dien-1-yl]benzene Traditional Name: 1-bromo-2-methyl-3-[2-phenoxy-6-(4-propylphenyl)cyclohexa-1,5-dien-1-yl]benzene Formula: C28H27BrO MolecularWeight: 459.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CCCC(=C2C3=C(C(=CC=C3)Br)C)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CCCC(=C2C3=C(C(=CC=C3)Br)C)OC4=CC=CC=C4

InChI

InChI=1S/C28H27BrO/c1-3-9-21-16-18-22(19-17-21)25-13-8-15-27(30-23-10-5-4-6-11-23)28(25)24-12-7-14-26(29)20(24)2/h4-7,10-14,16-19H,3,8-9,15H2,1-2H3