1,3-bis(2-methyl-1-propanoyloxy-propyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 1,3-bis(2-methyl-1-propanoyloxy-propyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 1,3-bis(2-methyl-1-propanoyloxy-propyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 1,3-bis[2-methyl-1-(1-oxopropoxy)propyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 1,3-bis(2-methyl-1-propanoyloxypropyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-1,3-bis(2-methyl-1-propionyloxy-propyl)xanthene-2-carboxylic acid Formula: C28H32O8 MolecularWeight: 496.54888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O8/c1-7-20(29)35-26(14(3)4)17-13-19-23(25(31)16-11-9-10-12-18(16)34-19)24(22(17)28(32)33)27(15(5)6)36-21(30)8-2/h9-15,26-27H,7-8H2,1-6H3,(H,32,33)