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(4S,5R)-oxane-2,4,5-triol; perylene-1-carboxamide

(4S,5R)-oxane-2,4,5-triol; perylene-1-carboxamide

Systemtic Name:(4S,5R)-oxane-2,4,5-triol; perylene-1-carboxamide
Openeye Name:perylene-1-carboxamide; (4S,5R)-tetrahydropyran-2,4,5-triol
CAS Name:(4S,5R)-oxane-2,4,5-triol; 1-perylenecarboxamide
IUPAC Name:(4S,5R)-oxane-2,4,5-triol; perylene-1-carboxamide
Traditional Name:perylene-1-carboxamide; (4S,5R)-tetrahydropyran-2,4,5-triol
Formula: C26H23NO5
MolecularWeight: 429.46452
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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(COC1O)O)O.C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)N)C3=CC=C2


Isomeric SMILES

C1[C@@H]([C@@H](COC1O)O)O.C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=C(C=C5)C(=O)N)C3=CC=C2


InChI

InChI=1S/C21H13NO.C5H10O4/c22-21(23)17-11-10-13-6-2-8-15-14-7-1-4-12-5-3-9-16(18(12)14)20(17)19(13)15;6-3-1-5(8)9-2-4(3)7/h1-11H,(H2,22,23);3-8H,1-2H2/t;3-,4+,5?/m.0/s1


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