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

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

Systemtic Name:5,7-bis(1-butoxypropyl)-9-oxidanylidene-xanthene-2-carboxylic acid
Openeye Name:5,7-bis(1-butoxypropyl)-9-oxo-xanthene-2-carboxylic acid
CAS Name:5,7-bis(1-butoxypropyl)-9-oxo-2-xanthenecarboxylic acid
IUPAC Name:5,7-bis(1-butoxypropyl)-9-oxoxanthene-2-carboxylic acid
Traditional Name:5,7-bis(1-butoxypropyl)-9-keto-xanthene-2-carboxylic acid
Formula: C28H36O6
MolecularWeight: 468.58184
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(CC)OCCCC


Isomeric SMILES

CCCCOC(CC)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(CC)OCCCC


InChI

InChI=1S/C28H36O6/c1-5-9-13-32-23(7-3)19-16-21(24(8-4)33-14-10-6-2)27-22(17-19)26(29)20-15-18(28(30)31)11-12-25(20)34-27/h11-12,15-17,23-24H,5-10,13-14H2,1-4H3,(H,30,31)


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