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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-heptoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-heptoxy-6-isopropoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-heptoxy-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-heptoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-heptoxy-6-isopropoxy-2H-chromene-3-carboxylic acid Formula: C27H32O7 MolecularWeight: 468.53878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C27H32O7/c1-4-5-6-7-8-13-30-26-20-15-19(33-17(2)3)10-12-21(20)34-25(24(26)27(28)29)18-9-11-22-23(14-18)32-16-31-22/h9-12,14-15,17,25H,4-8,13,16H2,1-3H3,(H,28,29)