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

Systemtic Name: 2-(1-oxidanyloctyl)-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-(1-hydroxyoctyl)-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-(1-hydroxyoctyl)-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-(1-hydroxyoctyl)-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-(1-hydroxyoctyl)-1,4-benzodioxin-3-carboxylic acid Formula: C17H22O5 MolecularWeight: 306.35358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5/c1-2-3-4-5-6-9-12(18)15-16(17(19)20)22-14-11-8-7-10-13(14)21-15/h7-8,10-12,18H,2-6,9H2,1H3,(H,19,20)