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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-2H-chromene-3-carboxylic acid Traditional Name: 4-amoxy-2-(1,3-benzodioxol-5-yl)-2H-chromene-3-carboxylic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H22O6/c1-2-3-6-11-25-21-15-7-4-5-8-16(15)28-20(19(21)22(23)24)14-9-10-17-18(12-14)27-13-26-17/h4-5,7-10,12,20H,2-3,6,11,13H2,1H3,(H,23,24)