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 5 results

Search term: GJKFEQPZRZBOJH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66212

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)/t5-,8-,9-,12-/m1/s1
C12H15N5O5309.27811700
319231

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)
C12H15N5O5309.2788700
19970516

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)/t5-,8-,9-,12?/m1/s1
C12H15N5O5309.2784400
28519802

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)/t5-,8-,9-,12+/m1/s1
C12H15N5O5309.2782200
21210930

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)/t5-,8-,9-,12-/m0/s1
C12H15N5O5309.2781300

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