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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 36 results

Search term: YFHHIZGZVLHBQZ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446207

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1
C23H32O5388.4972364200
4470754

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19-,20-,21+,22-/m1/s1
C23H32O5388.49718232300
45743305

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1/i2D2,7D2
C23H28D4O5392.5218101000
45743324

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19-,20+,21+,22+/m0/s1
C23H32O5388.49728700
45743323

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19-,20+,21-,22+/m0/s1
C23H32O5388.49727600
4939470

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1+,15-14+
C23H32O5388.49725600
4945738

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18?,19-,20-,21+,22+/m1/s1
C23H32O5388.49725500
23189709

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18?,19-,20-,21+,22-/m1/s1
C23H32O5388.49723300
58781125

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19-,20-,21+,22-/m1/s1/i2D2,7D2
C23H28D4O5392.52183300
60498415

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1+,15-14u/t18-,19+,20+,21-,22+/m0/s1
C23H32O5388.49723300
76043452

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1+,15-14+/t18-,19+,20+,21-,22+/m0/s1
C23H32O5388.49723600
115297238

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1+,15-14u
C23H32O5388.49723800
103867415

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1+,15-14u/t18-,19-,20-,21+,22-/m1/s1
C23H32O5388.49722200
29341970

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14?/t18-,19+,20+,21-,22+/m0/s1
C23H32O5388.49722100
68057766

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14u/t18-,19+,20+,21-,22+/m0/s1
C23H32O5388.49721100
12

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