1,3-bis(1-acetyloxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 1,3-bis(1-acetyloxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 1,3-bis(1-acetoxybutyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 1,3-bis(1-acetyloxybutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 1,3-bis(1-acetyloxybutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 1,3-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=CC2=C(C(=C1C(=O)O)C(CCC)OC(=O)C)C(=O)C3=CC=CC=C3O2)OC(=O)C

Isomeric SMILES

CCCC(C1=CC2=C(C(=C1C(=O)O)C(CCC)OC(=O)C)C(=O)C3=CC=CC=C3O2)OC(=O)C

InChI

InChI=1S/C26H28O8/c1-5-9-18(32-14(3)27)17-13-21-24(25(29)16-11-7-8-12-19(16)34-21)23(22(17)26(30)31)20(10-6-2)33-15(4)28/h7-8,11-13,18,20H,5-6,9-10H2,1-4H3,(H,30,31)