2-[[2-ethoxy-6-(heptoxymethyl)-5-oxidanyl-4-propoxy-oxan-3-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-ethoxy-6-(heptoxymethyl)-5-oxidanyl-4-propoxy-oxan-3-yl]oxymethyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-6-(heptoxymethyl)-5-hydroxy-4-propoxy-tetrahydropyran-3-yl]oxymethyl]benzonitrile CAS Name: 2-[[2-ethoxy-6-(heptoxymethyl)-5-hydroxy-4-propoxy-3-oxanyl]oxymethyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-6-(heptoxymethyl)-5-hydroxy-4-propoxyoxan-3-yl]oxymethyl]benzonitrile Traditional Name: 2-[[2-ethoxy-6-(heptoxymethyl)-5-hydroxy-4-propoxy-tetrahydropyran-3-yl]oxymethyl]benzonitrile Formula: C26H41NO6 MolecularWeight: 463.60684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1C(C(C(C(O1)OCC)OCC2=CC=CC=C2C#N)OCCC)O

Isomeric SMILES

CCCCCCCOCC1C(C(C(C(O1)OCC)OCC2=CC=CC=C2C#N)OCCC)O

InChI

InChI=1S/C26H41NO6/c1-4-7-8-9-12-16-29-19-22-23(28)24(31-15-5-2)25(26(33-22)30-6-3)32-18-21-14-11-10-13-20(21)17-27/h10-11,13-14,22-26,28H,4-9,12,15-16,18-19H2,1-3H3