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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-methoxy-2H-chromene-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-methoxy-2H-chromene-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-methoxy-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-methoxy-2H-chromene-3-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-methoxy-2H-chromene-3-carboxylic acid Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(OC2=C1C=C(C=C2)OC)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCCCOC1=C(C(OC2=C1C=C(C=C2)OC)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H22O7/c1-3-4-9-26-21-15-11-14(25-2)6-8-16(15)29-20(19(21)22(23)24)13-5-7-17-18(10-13)28-12-27-17/h5-8,10-11,20H,3-4,9,12H2,1-2H3,(H,23,24)