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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3-methoxyphenyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(3-methoxyphenyl)-2H-chromene-3-carboxylic acid Formula: C28H26O7 MolecularWeight: 474.50184

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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(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26O7/c1-3-4-12-32-20-9-11-22-21(15-20)25(17-8-10-23-24(14-17)34-16-33-23)26(28(29)30)27(35-22)18-6-5-7-19(13-18)31-2/h5-11,13-15,27H,3-4,12,16H2,1-2H3,(H,29,30)