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 3 results

Search term: RPDQHWBOZSMORE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4498596

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29N3O6S/c1-6-30-20-13-8-17(14-21(20)31-7-2)15-23-24-22(26)16(3)25(32(5,27)28)18-9-11-19(29-4)12-10-18/h8-16H,6-7H2,1-5H3,(H,24,26)/b23-15+
C22H29N3O6S463.5472191700
2132675

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29N3O6S/c1-6-30-20-13-8-17(14-21(20)31-7-2)15-23-24-22(26)16(3)25(32(5,27)28)18-9-11-19(29-4)12-10-18/h8-16H,6-7H2,1-5H3,(H,24,26)
C22H29N3O6S463.547163200
4630933

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N3O6S/c1-6-30-20-13-8-17(14-21(20)31-7-2)15-23-24-22(26)16(3)25(32(5,27)28)18-9-11-19(29-4)12-10-18/h8-16H,6-7H2,1-5H3,(H,24,26)/b23-15-/t16-/m0/s1
C22H29N3O6S463.54722100

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