3-[5-[1,3-benzodioxol-5-yl-(phenylmethylsulfanyl)methyl]furan-2-yl]propan-1-ol

Systemtic Name: 3-[5-[1,3-benzodioxol-5-yl-(phenylmethylsulfanyl)methyl]furan-2-yl]propan-1-ol Openeye Name: 3-[5-[1,3-benzodioxol-5-yl(benzylsulfanyl)methyl]-2-furyl]propan-1-ol CAS Name: 3-[5-[1,3-benzodioxol-5-yl-(phenylmethylthio)methyl]-2-furanyl]-1-propanol IUPAC Name: 3-[5-[1,3-benzodioxol-5-yl(benzylsulfanyl)methyl]furan-2-yl]propan-1-ol Traditional Name: 3-[5-[1,3-benzodioxol-5-yl-(benzylthio)methyl]-2-furyl]propan-1-ol Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC=C(O3)CCCO)SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC=C(O3)CCCO)SCC4=CC=CC=C4

InChI

InChI=1S/C22H22O4S/c23-12-4-7-18-9-11-20(26-18)22(27-14-16-5-2-1-3-6-16)17-8-10-19-21(13-17)25-15-24-19/h1-3,5-6,8-11,13,22-23H,4,7,12,14-15H2