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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-butoxyphenyl)-2H-chromene-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-butoxyphenyl)-2H-chromene-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-butoxyphenyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-butoxyphenyl)-2H-chromene-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-butoxyphenyl)-2H-chromene-3-carboxylic acid Formula: C31H32O7 MolecularWeight: 516.58158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=C(O2)C=CC(=C3)OCCCC)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C3=C(O2)C=CC(=C3)OCCCC)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C31H32O7/c1-3-5-15-34-22-10-7-20(8-11-22)30-29(31(32)33)28(21-9-13-26-27(17-21)37-19-36-26)24-18-23(35-16-6-4-2)12-14-25(24)38-30/h7-14,17-18,30H,3-6,15-16,19H2,1-2H3,(H,32,33)