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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-pentyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-pentyl-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-pentyl-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-pentyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 4-amyl-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C25H28O6 MolecularWeight: 424.48622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C25H28O6/c1-4-5-6-7-18-19-13-17(30-15(2)3)9-11-20(19)31-24(23(18)25(26)27)16-8-10-21-22(12-16)29-14-28-21/h8-13,15,24H,4-7,14H2,1-3H3,(H,26,27)