2-(1,3-benzodioxol-5-yl)-4-pentoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-pentoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-pentoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 4-amoxy-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C25H28O7/c1-4-5-6-11-28-24-18-13-17(31-15(2)3)8-10-19(18)32-23(22(24)25(26)27)16-7-9-20-21(12-16)30-14-29-20/h7-10,12-13,15,23H,4-6,11,14H2,1-3H3,(H,26,27)