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: YNCYWUANGFUOEC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3851724

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C44H59N5O6/c1-44(2,3)48-42(53)38-24-23-30-11-4-7-16-37(30)49(38)27-34-26-39(31-21-19-29(28-50)20-22-31)55-43(54-34)32-12-10-13-33(25-32)46-40(51)17-8-9-18-41(52)47-36-15-6-5-14-35(36)45/h5-6,10,12-15,19-22,25,30,34,37-39,43,50H,4,7-9,11,16-18,23-24,26-28,45H2,1-3H3,(H,46,51)(H,47,52)(H,48,53)
C44H59N5O6753.96922100
5107800

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H59N5O6/c1-44(2,3)48-42(53)38-24-23-30-11-4-7-16-37(30)49(38)27-34-26-39(31-21-19-29(28-50)20-22-31)55-43(54-34)32-12-10-13-33(25-32)46-40(51)17-8-9-18-41(52)47-36-15-6-5-14-35(36)45/h5-6,10,12-15,19-22,25,30,34,37-39,43,50H,4,7-9,11,16-18,23-24,26-28,45H2,1-3H3,(H,46,51)(H,47,52)(H,48,53)/t30-,34-,37-,38-,39+,43+/m1/s1
C44H59N5O6753.96922100
5111400

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H59N5O6/c1-44(2,3)48-42(53)38-24-23-30-11-4-7-16-37(30)49(38)27-34-26-39(31-21-19-29(28-50)20-22-31)55-43(54-34)32-12-10-13-33(25-32)46-40(51)17-8-9-18-41(52)47-36-15-6-5-14-35(36)45/h5-6,10,12-15,19-22,25,30,34,37-39,43,50H,4,7-9,11,16-18,23-24,26-28,45H2,1-3H3,(H,46,51)(H,47,52)(H,48,53)/t30-,34+,37-,38-,39-,43-/m1/s1
C44H59N5O6753.96922100

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