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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(=C2OCCCC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(=C2OCCCC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

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