2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane

Systemtic Name: 2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane Openeye Name: 2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane CAS Name: 2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane IUPAC Name: 2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane Traditional Name: 2-butyl-5-[4-(4-heptylphenyl)phenyl]-1,4-dioxane Formula: C27H38O2 MolecularWeight: 394.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3COC(CO3)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3COC(CO3)CCCC

InChI

InChI=1S/C27H38O2/c1-3-5-7-8-9-10-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27-21-28-26(20-29-27)11-6-4-2/h12-19,26-27H,3-11,20-21H2,1-2H3