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

Systemtic Name: 5,7-bis(1-butanoyloxyethyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(1-butanoyloxyethyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-5,7-bis[1-(1-oxobutoxy)ethyl]-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(1-butanoyloxyethyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-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=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C)OC(=O)CCC

Isomeric SMILES

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

InChI

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