Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 10 results

Search term: BBOCDRLDMQHWJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
86768

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
C12H17N5O5311.2939644921
213306

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)
C12H17N5O5311.293912800
62574889

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9+,12-/m1/s1
C12H17N5O5311.29394500
2496949

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12+/m0/s1
C12H17N5O5311.29393300
5145715

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9+,12-/m0/s1
C12H17N5O5311.29392100
24655614

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12?/m1/s1
C12H17N5O5311.29392200
62328216

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8+,9-,12-/m0/s1
C12H17N5O5311.29392200
62574881

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8+,9+,12+/m0/s1
C12H17N5O5311.29392300
62661347

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9+,12+/m1/s1
C12H17N5O5311.29392200
78479799

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m0/s1
C12H17N5O5311.29391100

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