5,7-bis(1-acetyloxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(1-acetyloxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(1-acetoxybutyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(1-acetyloxybutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(1-acetyloxybutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(1-acetoxybutyl)-9-keto-xanthene-2-carboxylic acid Formula: C26H28O8 MolecularWeight: 468.49572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(CCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(CCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H28O8/c1-5-7-21(32-14(3)27)17-12-19(22(8-6-2)33-15(4)28)25-20(13-17)24(29)18-11-16(26(30)31)9-10-23(18)34-25/h9-13,21-22H,5-8H2,1-4H3,(H,30,31)