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: XQLJSLMJQILGFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9321878

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C18H37N5O10/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1
C18H37N5O10483.51393300
4435783

Charge

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C18H37N5O10/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/p+5/t4-,5+,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
C18H42N5O10488.5535800000012200
4435784

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C18H37N5O10/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
C18H37N5O10483.513882200
4440372

Charge

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C18H37N5O10/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/p+5/t4-,5+,6-,7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1
C18H42N5O10488.5535800000012200
4440373

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C18H37N5O10/c19-2-6-11(26)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)12(27)8(22)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1
C18H37N5O10483.513882200

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