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
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Single/Multi-component
Isotopically Labeled
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Found 6 results

Search term: GRAAWEGTURLYKP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85007

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24+,25+,26-,27-,29-/m0/s1
C29H46O3442.6737363641
23089252

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23?,24-,25?,26+,27?,29?/m1/s1
C29H46O3442.67374100
11556578

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3
C29H46O3442.67373200
58783495

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24+,25+,26-,27-,29-/m0/s1/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
C29H25D21O3463.80312200
107445487

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24-,25+,26+,27-,29-/m0/s1
C29H46O3442.67371200
29787558

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24?,25+,26?,27-,29-/m0/s1
C29H46O3442.67371100

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