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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 12 results

Search term: KSBSLJKYJXTATP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8126729

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1
C23H29NO3367.4813452800
8151842

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19?,23+/m0/s1
C23H29NO3367.48135400
26519641

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19+,23+/m0/s1
C23H29NO3367.48134100
58781088

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1/i3D,4D,5D,7D,8D
C23H24D5NO3372.51213400
8445813

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)
C23H29NO3367.48133100
8559794

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19?,23+/m1/s1
C23H29NO3367.48132100
78272921

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m1/s1
C23H29NO3367.48132200
78315297

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23-/m0/s1
C23H29NO3367.48131100
107449416

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19?,23+/m0/s1/i3D,4D,5D,7D,8D
C23H24D5NO3372.51211100
128924618

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19+,23-/m1/s1
C23H29NO3367.48131100
24818117

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17?,19?,23-/m1/s1
C23H29NO3367.48131100
58793426

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1/i3D,4D,5D,7D,8D,13D2
C23H22D7NO3374.52441100

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