2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H20O6/c1-2-3-10-24-20-14-6-4-5-7-15(14)27-19(18(20)21(22)23)13-8-9-16-17(11-13)26-12-25-16/h4-9,11,19H,2-3,10,12H2,1H3,(H,22,23)