(4R,4aS)-N-(2-hydroxyethyl)-6-methyl-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxamide

Systemtic Name: (4R,4aS)-N-(2-hydroxyethyl)-6-methyl-4,8-bis(oxidanyl)-9-oxidanylidene-4H-xanthene-4a-carboxamide Openeye Name: (4R,4aS)-4,8-dihydroxy-N-(2-hydroxyethyl)-6-methyl-9-oxo-4H-xanthene-4a-carboxamide CAS Name: (4R,4aS)-4,8-dihydroxy-N-(2-hydroxyethyl)-6-methyl-9-oxo-4H-xanthene-4a-carboxamide IUPAC Name: (4R,4aS)-4,8-dihydroxy-N-(2-hydroxyethyl)-6-methyl-9-oxo-4H-xanthene-4a-carboxamide Traditional Name: (4R,4aS)-4,8-dihydroxy-N-(2-hydroxyethyl)-9-keto-6-methyl-4H-xanthene-4a-carboxamide Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC(C3(O2)C(=O)NCCO)O

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=CC=C[C@H]([C@]3(O2)C(=O)NCCO)O

InChI

InChI=1S/C17H17NO6/c1-9-7-11(20)14-12(8-9)24-17(16(23)18-5-6-19)10(15(14)22)3-2-4-13(17)21/h2-4,7-8,13,19-21H,5-6H2,1H3,(H,18,23)/t13-,17+/m1/s1