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

Systemtic Name: 1,3-bis(1-methoxypropyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 1,3-bis(1-methoxypropyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 1,3-bis(1-methoxypropyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 1,3-bis(1-methoxypropyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-1,3-bis(1-methoxypropyl)xanthene-2-carboxylic acid Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O6/c1-5-14(26-3)13-11-17-20(19(15(6-2)27-4)18(13)22(24)25)21(23)12-9-7-8-10-16(12)28-17/h7-11,14-15H,5-6H2,1-4H3,(H,24,25)