2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-chromene-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-7-propoxy-2H-chromene-3-carboxylic acid Formula: C27H24O7 MolecularWeight: 460.47526

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H24O7/c1-3-12-31-19-9-10-20-22(14-19)34-26(17-6-11-21-23(13-17)33-15-32-21)25(27(28)29)24(20)16-4-7-18(30-2)8-5-16/h4-11,13-14,26H,3,12,15H2,1-2H3,(H,28,29)