bis[2-[(4-butylphenyl)methyl]-4-ethoxy-phenyl]methanone

Systemtic Name: bis[2-[(4-butylphenyl)methyl]-4-ethoxy-phenyl]methanone Openeye Name: bis[2-[(4-butylphenyl)methyl]-4-ethoxy-phenyl]methanone CAS Name: bis[2-[(4-butylphenyl)methyl]-4-ethoxyphenyl]methanone IUPAC Name: bis[2-[(4-butylphenyl)methyl]-4-ethoxyphenyl]methanone Traditional Name: bis[2-(4-butylbenzyl)-4-ethoxy-phenyl]methanone Formula: C39H46O3 MolecularWeight: 562.78074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2=C(C=CC(=C2)OCC)C(=O)C3=C(C=C(C=C3)OCC)CC4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2=C(C=CC(=C2)OCC)C(=O)C3=C(C=C(C=C3)OCC)CC4=CC=C(C=C4)CCCC

InChI

InChI=1S/C39H46O3/c1-5-9-11-29-13-17-31(18-14-29)25-33-27-35(41-7-3)21-23-37(33)39(40)38-24-22-36(42-8-4)28-34(38)26-32-19-15-30(16-20-32)12-10-6-2/h13-24,27-28H,5-12,25-26H2,1-4H3