5,7-bis(2-methyl-1-propanoyloxy-propyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(2-methyl-1-propanoyloxy-propyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(2-methyl-1-propanoyloxy-propyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis[2-methyl-1-(1-oxopropoxy)propyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(2-methyl-1-propanoyloxypropyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5,7-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=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C(C)C)OC(=O)CC)C(C)C

Isomeric SMILES

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

InChI

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