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
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Found 5 results

Search term: CMDVSEUMPNJWPP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17470128

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)/t16-,17-,19+,20+,23?,25-,26-,27?,28?/m1/s1
C28H37NO9531.59474100
23548754

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)/t16-,17-,19+,20+,23?,25-,26-,27+,28?/m1/s1
C28H37NO9531.59474300
4147540

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)
C28H37NO9531.5946799999992100
68381213

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)/t16-,17-,19+,20+,23?,25-,26-,27-,28-/m1/s1
C28H37NO9531.59472100
60759178

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H37NO9/c1-16-10-11-20-17(2)25(35-26-28(20)19(16)14-15-27(3,36-26)37-38-28)34-22(31)13-12-21(30)29-23(24(32)33-4)18-8-6-5-7-9-18/h5-9,16-17,19-20,23,25-26H,10-15H2,1-4H3,(H,29,30)/t16-,17-,19+,20+,23?,25-,26-,27-,28?/m1/s1
C28H37NO9531.59471100

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