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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-hexoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-hexoxy-6-isopropoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-hexoxy-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-hexoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-hexoxy-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H30O7/c1-4-5-6-7-12-29-25-19-14-18(32-16(2)3)9-11-20(19)33-24(23(25)26(27)28)17-8-10-21-22(13-17)31-15-30-21/h8-11,13-14,16,24H,4-7,12,15H2,1-3H3,(H,27,28)