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: UXCCOLVNQUBDAJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946364

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C18H27N3O6S2/c1-9-14-13(10(2)22)17(23)21(14)15(18(24)25)16(9)28-12-7-11(19-8-12)5-4-6-20-29(3,26)27/h4-5,9-14,19-20,22H,6-8H2,1-3H3,(H,24,25)/b5-4+/t9-,10?,11-,12+,13?,14-/m1/s1
C18H27N3O6S2445.55357600
5293533

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H27N3O6S2/c1-9-14-13(10(2)22)17(23)21(14)15(18(24)25)16(9)28-12-7-11(19-8-12)5-4-6-20-29(3,26)27/h4-5,9-14,19-20,22H,6-8H2,1-3H3,(H,24,25)/b5-4+/t9-,10-,11-,12+,13-,14-/m1/s1
C18H27N3O6S2445.553487600
8224746

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C18H27N3O6S2/c1-9-14-13(10(2)22)17(23)21(14)15(18(24)25)16(9)28-12-7-11(19-8-12)5-4-6-20-29(3,26)27/h4-5,9-14,19-20,22H,6-8H2,1-3H3,(H,24,25)/b5-4+/t9-,10-,11-,12+,13-,14?/m1/s1
C18H27N3O6S2445.55352100
129308698

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H27N3O6S2/c1-9-14-13(10(2)22)17(23)21(14)15(18(24)25)16(9)28-12-7-11(19-8-12)5-4-6-20-29(3,26)27/h4-5,9-14,19-20,22H,6-8H2,1-3H3,(H,24,25)/t9-,10-,11-,12+,13-,14-/m1/s1
C18H27N3O6S2445.55351100

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