6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-4-oxidanyl-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-4-oxidanyl-1,3-benzodioxole-5-carbaldehyde Openeye Name: 4-hydroxy-6-[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 4-hydroxy-6-[2-[2-(2-oxanyloxy)ethyl]phenyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 4-hydroxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 4-hydroxy-6-[2-(2-tetrahydropyran-2-yloxyethyl)phenyl]piperonal Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCC2=CC=CC=C2C3=CC4=C(C(=C3C=O)O)OCO4

Isomeric SMILES

C1CCOC(C1)OCCC2=CC=CC=C2C3=CC4=C(C(=C3C=O)O)OCO4

InChI

InChI=1S/C21H22O6/c22-12-17-16(11-18-21(20(17)23)27-13-26-18)15-6-2-1-5-14(15)8-10-25-19-7-3-4-9-24-19/h1-2,5-6,11-12,19,23H,3-4,7-10,13H2