2-(1-oxidanylheptyl)-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 2-(1-oxidanylheptyl)-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-(1-hydroxyheptyl)-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-(1-hydroxyheptyl)-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-(1-hydroxyheptyl)-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-(1-hydroxyheptyl)-1,4-benzodioxin-3-carboxylic acid Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(OC2=CC=CC=C2O1)C(=O)O)O

Isomeric SMILES

CCCCCCC(C1=C(OC2=CC=CC=C2O1)C(=O)O)O

InChI

InChI=1S/C16H20O5/c1-2-3-4-5-8-11(17)14-15(16(18)19)21-13-10-7-6-9-12(13)20-14/h6-7,9-11,17H,2-5,8H2,1H3,(H,18,19)