3-butoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxidanylidene-chromene-6-carboxylic acid

Systemtic Name: 3-butoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxidanylidene-chromene-6-carboxylic acid Openeye Name: 3-butoxy-2-[(E)-2-(3-methoxyphenyl)vinyl]-4-oxo-chromene-6-carboxylic acid CAS Name: 3-butoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxo-1-benzopyran-6-carboxylic acid IUPAC Name: 3-butoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]-4-oxochromene-6-carboxylic acid Traditional Name: 3-butoxy-4-keto-2-[(E)-2-(3-methoxyphenyl)vinyl]chromene-6-carboxylic acid Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)O)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H22O6/c1-3-4-12-28-22-20(10-8-15-6-5-7-17(13-15)27-2)29-19-11-9-16(23(25)26)14-18(19)21(22)24/h5-11,13-14H,3-4,12H2,1-2H3,(H,25,26)/b10-8+