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: MJHZJODQLYCXHE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28286970

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5+/t12-,13+,14+,15+,16-,19+/m0/s1
C21H33N3O6S2487.63323400
29397237

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5+/t12?,13-,14-,15-,16+,19-/m1/s1
C21H33N3O6S2487.63322200
8089000

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5+
C21H33N3O6S2487.63322100
58145756

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5-/t12-,13+,14+,15+,16-,19+/m0/s1
C21H33N3O6S2487.63321200
65322312

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5+/t12-,13+,14?,15+,16-,19+/m0/s1
C21H33N3O6S2487.63321100
78445228

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C21H33N3O6S2/c1-4-12(2)19-16(25)10-18(27)30-14-7-5-6-8-31-32-11-15(21(29)24-19)23-20(28)13(3)22-17(26)9-14/h5,7,12-16,19,25H,4,6,8-11H2,1-3H3,(H,22,26)(H,23,28)(H,24,29)/b7-5+/t12?,13-,14?,15-,16?,19?/m1/s1
C21H33N3O6S2487.63321100

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