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

Systemtic Name: 1,3-bis(1-butanoyloxyethyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 1,3-bis(1-butanoyloxyethyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-1,3-bis[1-(1-oxobutoxy)ethyl]-2-xanthenecarboxylic acid IUPAC Name: 1,3-bis(1-butanoyloxyethyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 1,3-bis(1-butyryloxyethyl)-9-keto-xanthene-2-carboxylic acid Formula: C26H28O8 MolecularWeight: 468.49572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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