2-(2-ethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(5-oxidanyl-5-oxidanylidene-pentyl)benzoic acid

Systemtic Name: 2-(2-ethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(5-oxidanyl-5-oxidanylidene-pentyl)benzoic acid Openeye Name: 2-(2-ethoxy-3-hydroxy-6-oxo-xanthen-9-yl)-5-(5-hydroxy-5-oxo-pentyl)benzoic acid CAS Name: 2-(2-ethoxy-3-hydroxy-6-oxo-9-xanthenyl)-5-(5-hydroxy-5-oxopentyl)benzoic acid IUPAC Name: 2-(2-ethoxy-3-hydroxy-6-oxoxanthen-9-yl)-5-(5-hydroxy-5-oxopentyl)benzoic acid Traditional Name: 2-(2-ethoxy-3-hydroxy-6-keto-xanthen-9-yl)-5-(5-hydroxy-5-keto-pentyl)benzoic acid Formula: C27H24O8 MolecularWeight: 476.47466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)CCCCC(=O)O)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C3C=CC(=O)C=C3O2)C4=C(C=C(C=C4)CCCCC(=O)O)C(=O)O)O

InChI

InChI=1S/C27H24O8/c1-2-34-24-13-20-23(14-21(24)29)35-22-12-16(28)8-10-18(22)26(20)17-9-7-15(11-19(17)27(32)33)5-3-4-6-25(30)31/h7-14,29H,2-6H2,1H3,(H,30,31)(H,32,33)