4-[1-(1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanyl-2-oxidanylidene-ethoxy]-3,5-dipropyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxo-ethoxy]-3,5-dipropyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-oxoethoxy]-3,5-dipropylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-keto-ethoxy]-3,5-dipropyl-benzoic acid Formula: C22H24O7 MolecularWeight: 400.42176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)O)CCC)C(=O)O

InChI

InChI=1S/C22H24O7/c1-3-5-13-9-16(21(23)24)10-14(6-4-2)19(13)29-20(22(25)26)15-7-8-17-18(11-15)28-12-27-17/h7-11,20H,3-6,12H2,1-2H3,(H,23,24)(H,25,26)