(4S,5R)-oxane-2,4,5-triol; pyrene

Systemtic Name: (4S,5R)-oxane-2,4,5-triol; pyrene Openeye Name: pyrene; (4S,5R)-tetrahydropyran-2,4,5-triol CAS Name: (4S,5R)-oxane-2,4,5-triol; pyrene IUPAC Name: (4S,5R)-oxane-2,4,5-triol; pyrene Traditional Name: pyrene; (4S,5R)-tetrahydropyran-2,4,5-triol Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(COC1O)O)O.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

Isomeric SMILES

C1[C@@H]([C@@H](COC1O)O)O.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

InChI

InChI=1S/C16H10.C5H10O4/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;6-3-1-5(8)9-2-4(3)7/h1-10H;3-8H,1-2H2/t;3-,4+,5?/m.0/s1