3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde

Systemtic Name: 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde Openeye Name: 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde CAS Name: 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde IUPAC Name: 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde Traditional Name: 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]benzaldehyde Formula: C21H22O7S MolecularWeight: 418.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=O)OC)OC)OC)OCO3

Isomeric SMILES

CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=O)OC)OC)OC)OCO3

InChI

InChI=1S/C21H22O7S/c1-21(28-5-6-29-21)14-9-16-15(26-11-27-16)8-13(14)18-12(10-22)7-17(23-2)19(24-3)20(18)25-4/h7-10H,5-6,11H2,1-4H3