4-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-4-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-keto-3-methylol-2-(3,4,5-trimethoxybenzyl)butyric acid Formula: C22H24O9 MolecularWeight: 432.42056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(C(CO)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(C(CO)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C22H24O9/c1-27-18-7-12(8-19(28-2)21(18)29-3)6-14(22(25)26)15(10-23)20(24)13-4-5-16-17(9-13)31-11-30-16/h4-5,7-9,14-15,23H,6,10-11H2,1-3H3,(H,25,26)