2-(1,3-benzodioxol-5-yl)-3-(4-methoxycarbonylphenyl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methoxycarbonylphenyl)-3-oxidanyl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-carbomethoxyphenyl)-3-hydroxy-propionic acid Formula: C18H16O7 MolecularWeight: 344.31544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)O)O

InChI

InChI=1S/C18H16O7/c1-23-18(22)11-4-2-10(3-5-11)16(19)15(17(20)21)12-6-7-13-14(8-12)25-9-24-13/h2-8,15-16,19H,9H2,1H3,(H,20,21)