5-butyl-9-hexyl-3-methyl-4-oxidanylidene-5H-pyrano[3,2-c]chromene-2-carboxylic acid

Systemtic Name: 5-butyl-9-hexyl-3-methyl-4-oxidanylidene-5H-pyrano[3,2-c]chromene-2-carboxylic acid Openeye Name: 5-butyl-9-hexyl-3-methyl-4-oxo-5H-pyrano[3,2-c]chromene-2-carboxylic acid CAS Name: 5-butyl-9-hexyl-3-methyl-4-oxo-5H-pyrano[3,2-c][1]benzopyran-2-carboxylic acid IUPAC Name: 5-butyl-9-hexyl-3-methyl-4-oxo-5H-pyrano[3,2-c]chromene-2-carboxylic acid Traditional Name: 5-butyl-9-hexyl-4-keto-3-methyl-5H-pyrano[3,2-c]chromene-2-carboxylic acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)OC(C3=C2OC(=C(C3=O)C)C(=O)O)CCCC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)OC(C3=C2OC(=C(C3=O)C)C(=O)O)CCCC

InChI

InChI=1S/C24H30O5/c1-4-6-8-9-10-16-12-13-18-17(14-16)23-20(19(28-18)11-7-5-2)21(25)15(3)22(29-23)24(26)27/h12-14,19H,4-11H2,1-3H3,(H,26,27)