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: JKRUIPFBZRSBER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9932750

Charge

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C36H61N2O4/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3/h26-32,34H,6-24H2,1-5H3/q+1/t26-,27?,28?,29?,30?,31?,32-,34-,35-,36-/m0/s1
C36H61N2O4585.882100
2301181

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H61N2O4/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3/h26-32,34H,6-24H2,1-5H3/q+1/t26-,27+,28-,29-,30-,31-,32-,34+,35-,36-/m0/s1
C36H61N2O4585.8805399999971100
8570102

Charge

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C36H61N2O4/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3/h26-32,34H,6-24H2,1-5H3/q+1/t26-,27?,28?,29?,30?,31-,32-,34+,35-,36-/m0/s1
C36H61N2O4585.881100

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