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 9 results

Search term: XOKJUSAYZUAMGJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11331

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
C12H13N5O4291.2627618501
217078

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)
C12H13N5O4291.26271410500
446949

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9+,12-/m1/s1
C12H13N5O4291.26278800
5145034

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9+,12-/m0/s1
C12H13N5O4291.26276400
8554948

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8+,9-,12-/m1/s1
C12H13N5O4291.26275400
32077103

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8+,9+,12-/m1/s1
C12H13N5O4291.26275400
62661373

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8+,9-,12-/m0/s1
C12H13N5O4291.26272200
98608724

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8+,9?,12-/m1/s1
C12H13N5O4291.26271100
58837443

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12+/m1/s1
C12H13N5O4291.26271100

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