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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3,4-dimethoxyphenyl)-2H-chromene-3-carboxylic acid Formula: C29H28O8 MolecularWeight: 504.52782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H28O8/c1-4-5-12-34-19-8-11-21-20(15-19)26(17-6-10-23-25(13-17)36-16-35-23)27(29(30)31)28(37-21)18-7-9-22(32-2)24(14-18)33-3/h6-11,13-15,28H,4-5,12,16H2,1-3H3,(H,30,31)