2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]butanedioic acid

Systemtic Name: 2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]butanedioic acid Openeye Name: 2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]butanedioic acid CAS Name: 2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]butanedioic acid IUPAC Name: 2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]butanedioic acid Traditional Name: 2-[(4-ethoxy-1,3-benzodioxol-5-yl)methyl]succinic acid Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1OCO2)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC2=C1OCO2)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16O7/c1-2-19-12-8(3-4-10-13(12)21-7-20-10)5-9(14(17)18)6-11(15)16/h3-4,9H,2,5-7H2,1H3,(H,15,16)(H,17,18)