2-(3-oxidanyloctyl)-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 2-(3-oxidanyloctyl)-1,3-benzodioxole-2-carboxylic acid Openeye Name: 2-(3-hydroxyoctyl)-1,3-benzodioxole-2-carboxylic acid CAS Name: 2-(3-hydroxyoctyl)-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 2-(3-hydroxyoctyl)-1,3-benzodioxole-2-carboxylic acid Traditional Name: 2-(3-hydroxyoctyl)-1,3-benzodioxole-2-carboxylic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1(OC2=CC=CC=C2O1)C(=O)O)O

Isomeric SMILES

CCCCCC(CCC1(OC2=CC=CC=C2O1)C(=O)O)O

InChI

InChI=1S/C16H22O5/c1-2-3-4-7-12(17)10-11-16(15(18)19)20-13-8-5-6-9-14(13)21-16/h5-6,8-9,12,17H,2-4,7,10-11H2,1H3,(H,18,19)