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: OTRYAHNZFLNNCB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7852667

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N6O9S2/c1-22(2,20(35)36)37-26-13(10-8-39-21(23)24-10)16(31)25-14-17(32)28-15(19(33)34)9(7-38-18(14)28)5-27-4-3-11(29)12(30)6-27/h3-4,6,8,14,18,30H,5,7H2,1-2H3,(H2,23,24)(H,25,31)(H,33,34)(H,35,36)/b26-13+/t14-,18-/m1/s1
C22H22N6O9S2578.57496500
64883272

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N6O9S2/c1-22(2,20(35)36)37-26-13(10-8-39-21(23)24-10)16(31)25-14-17(32)28-15(19(33)34)9(7-38-18(14)28)5-27-4-3-11(29)12(30)6-27/h3-4,6,8,14,18,30H,5,7H2,1-2H3,(H2,23,24)(H,25,31)(H,33,34)(H,35,36)/b26-13+
C22H22N6O9S2578.57492200
68024821

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H22N6O9S2/c1-22(2,20(35)36)37-26-13(10-8-39-21(23)24-10)16(31)25-14-17(32)28-15(19(33)34)9(7-38-18(14)28)5-27-4-3-11(29)12(30)6-27/h3-4,6,8,14,18,30H,5,7H2,1-2H3,(H2,23,24)(H,25,31)(H,33,34)(H,35,36)/b26-13+/t14?,18-/m0/s1
C22H22N6O9S2578.57491100
82969423

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N6O9S2/c1-22(2,20(35)36)37-26-13(10-8-39-21(23)24-10)16(31)25-14-17(32)28-15(19(33)34)9(7-38-18(14)28)5-27-4-3-11(29)12(30)6-27/h3-4,6,8,14,18,30H,5,7H2,1-2H3,(H2,23,24)(H,25,31)(H,33,34)(H,35,36)/b26-13-
C22H22N6O9S2578.57491100

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