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

Systemtic Name: 2-[4-(4-heptylphenyl)phenyl]-5-propyl-oxane Openeye Name: 2-[4-(4-heptylphenyl)phenyl]-5-propyl-tetrahydropyran CAS Name: 2-[4-(4-heptylphenyl)phenyl]-5-propyloxane IUPAC Name: 2-[4-(4-heptylphenyl)phenyl]-5-propyloxane Traditional Name: 2-[4-(4-heptylphenyl)phenyl]-5-propyl-tetrahydropyran Formula: C27H38O MolecularWeight: 378.59002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O/c1-3-5-6-7-8-10-22-11-14-24(15-12-22)25-16-18-26(19-17-25)27-20-13-23(9-4-2)21-28-27/h11-12,14-19,23,27H,3-10,13,20-21H2,1-2H3