4-[(5-heptoxy-3-oxidanyl-6-propan-2-yloxy-4-propoxy-oxan-2-yl)methoxymethyl]benzenecarbonitrile

Systemtic Name: 4-[(5-heptoxy-3-oxidanyl-6-propan-2-yloxy-4-propoxy-oxan-2-yl)methoxymethyl]benzenecarbonitrile Openeye Name: 4-[(5-heptoxy-3-hydroxy-6-isopropoxy-4-propoxy-tetrahydropyran-2-yl)methoxymethyl]benzonitrile CAS Name: 4-[(5-heptoxy-3-hydroxy-6-propan-2-yloxy-4-propoxy-2-oxanyl)methoxymethyl]benzonitrile IUPAC Name: 4-[(5-heptoxy-3-hydroxy-6-propan-2-yloxy-4-propoxyoxan-2-yl)methoxymethyl]benzonitrile Traditional Name: 4-[(5-heptoxy-3-hydroxy-6-isopropoxy-4-propoxy-tetrahydropyran-2-yl)methoxymethyl]benzonitrile Formula: C27H43NO6 MolecularWeight: 477.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C(C(C(OC1OC(C)C)COCC2=CC=C(C=C2)C#N)O)OCCC

Isomeric SMILES

CCCCCCCOC1C(C(C(OC1OC(C)C)COCC2=CC=C(C=C2)C#N)O)OCCC

InChI

InChI=1S/C27H43NO6/c1-5-7-8-9-10-16-32-26-25(31-15-6-2)24(29)23(34-27(26)33-20(3)4)19-30-18-22-13-11-21(17-28)12-14-22/h11-14,20,23-27,29H,5-10,15-16,18-19H2,1-4H3