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 6 results

Search term: NLUNUQJHWWKYNI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589323

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26?,27?/m0/s1
C27H31NO2401.54052200
8629109

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26-,27+/m0/s1
C27H31NO2401.54052100
20129646

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26-,27-/m1/s1
C27H31NO2401.54052200
58816390

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26?,27?/m1/s1
C27H31NO2401.54052200
21219766

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/p+1/t25-,26-,27-/m1/s1
C27H32NO2402.54791100
13102781

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H31NO2/c29-22-9-8-21-14-25-27(16-19-4-2-1-3-5-19)11-10-23(30)17-26(27,24(21)15-22)12-13-28(25)18-20-6-7-20/h1-5,8-9,15,20,25,29H,6-7,10-14,16-18H2/t25-,26+,27+/m0/s1
C27H31NO2401.54051100

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