7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonyl-heptanoic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonylheptanoic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonylheptanoic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfonyl-enanthic acid Formula: C22H26O8S MolecularWeight: 450.50204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC3=C(C=C2)OCO3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC3=C(C=C2)OCO3)CC(=O)O)OC

InChI

InChI=1S/C22H26O8S/c1-27-18-10-8-17(12-20(18)28-2)31(25,26)16(13-22(23)24)6-4-3-5-15-7-9-19-21(11-15)30-14-29-19/h7-12,16H,3-6,13-14H2,1-2H3,(H,23,24)