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 6 results

Search term: MJUOPNSEEIKMFW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
169742

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)
C25H42N4O14622.61943500
4450937

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19+,20-,21+,22+,23-,24-/m0/s1
C25H42N4O14622.6193799999982100
8049579

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10?,11-,12-,13?,14-,15-,16-,17+,18?,19+,20?,21?,22-,23+,24+/m1/s1
C25H42N4O14622.61942100
59701241

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21-,22-,23+,24+/m0/s1
C25H42N4O14622.61942100
78443217

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11+,12-,13+,14-,15-,16-,17-,18+,19+,20-,21+,22-,23+,24+/m1/s1
C25H42N4O14622.61941100
78443218

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11-,12+,13-,14-,15+,16-,17-,18-,19-,20+,21-,22-,23+,24+/m1/s1
C25H42N4O14622.61941100

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