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 4 results

Search term: OOKVCCDFQPOLCN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17517911

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7+,8-,9-,10-,11+,12+,13+,14+,15-,16?,17-,18+,21?/m0/s1
C21H41N7O12583.58999600
23932538

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7+,8-,9-,10-,11+,12+,13+,14+,15-,16?,17-,18+,21+/m0/s1
C21H41N7O12583.58995500
2975553

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)
C21H41N7O12583.5899399999982100
23868536

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,21-/m1/s1
C21H41N7O12583.58992100

Advertisement