2-[4-(4-heptylphenyl)phenyl]-5-pentyl-oxane

Systemtic Name: 2-[4-(4-heptylphenyl)phenyl]-5-pentyl-oxane Openeye Name: 2-[4-(4-heptylphenyl)phenyl]-5-pentyl-tetrahydropyran CAS Name: 2-[4-(4-heptylphenyl)phenyl]-5-pentyloxane IUPAC Name: 2-[4-(4-heptylphenyl)phenyl]-5-pentyloxane Traditional Name: 5-amyl-2-[4-(4-heptylphenyl)phenyl]tetrahydropyran Formula: C29H42O MolecularWeight: 406.64318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CO3)CCCCC

InChI

InChI=1S/C29H42O/c1-3-5-7-8-10-11-24-13-16-26(17-14-24)27-18-20-28(21-19-27)29-22-15-25(23-30-29)12-9-6-4-2/h13-14,16-21,25,29H,3-12,15,22-23H2,1-2H3