(4-decoxy-8-oxidanyl-2-oxidanylidene-chromen-3-yl) benzoate

Systemtic Name: (4-decoxy-8-oxidanyl-2-oxidanylidene-chromen-3-yl) benzoate Openeye Name: (4-decoxy-8-hydroxy-2-oxo-chromen-3-yl) benzoate CAS Name: benzoic acid (4-decoxy-8-hydroxy-2-oxo-1-benzopyran-3-yl) ester IUPAC Name: (4-decoxy-8-hydroxy-2-oxochromen-3-yl) benzoate Traditional Name: benzoic acid (4-decoxy-8-hydroxy-2-keto-chromen-3-yl) ester Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30O6/c1-2-3-4-5-6-7-8-12-18-30-23-20-16-13-17-21(27)22(20)31-26(29)24(23)32-25(28)19-14-10-9-11-15-19/h9-11,13-17,27H,2-8,12,18H2,1H3