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 7 results

Search term: LTZRWEQGADQLBS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3001622

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
C22H22N2O6410.41988231400
874144

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17-,18+
C22H22N2O6410.41992100
874145

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17-,18-/m1/s1
C22H22N2O6410.41992100
874147

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17-,18-/m0/s1
C22H22N2O6410.41992100
5604084

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t17-,18-/m1/s1
C22H20N2O6408.40511100
5604085

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t17-,18+
C22H20N2O6408.40511100
5604086

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2/t17-,18-/m0/s1
C22H20N2O6408.40511100

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