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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-hexyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-hexyl-6-isopropoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-hexyl-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-hexyl-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-hexyl-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H30O6/c1-4-5-6-7-8-19-20-14-18(31-16(2)3)10-12-21(20)32-25(24(19)26(27)28)17-9-11-22-23(13-17)30-15-29-22/h9-14,16,25H,4-8,15H2,1-3H3,(H,27,28)