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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
Additional Filters

Found 30 results

Search term: PLBHSZGDDKCEHR (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5666

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
C24H32O6416.50736678190
508102

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3
C24H32O6416.5073173835301
22889290

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17?,19?,21?,22?,23?,24-/m0/s1
C24H32O6416.50738300
5140953

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17?,19-,21?,22?,23?,24-/m0/s1
C24H32O6416.50736400
17460121

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17?,19?,21?,22-,23-,24-/m0/s1
C24H32O6416.50736200
217062

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1
C24H32O6416.50735500
81423576

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17?,19-,21+,22-,23-,24-/m0/s1
C24H32O6416.50734500
94270048

0 of 8 defined stereocentres - 0/8 defined

Non-standard isotope
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/i5D,10D,11D2,13D,21D
C24H26D6O6422.54434300
23089412

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17?,19-,21?,22-,23-,24-/m0/s1
C24H32O6416.507331900
10044020

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17+,19-,21+,22-,23-,24-/m0/s1
C24H32O6416.50733200
10044021

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19+,21+,22-,23-,24-/m0/s1
C24H32O6416.50733200
10044022

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17+,19+,21+,22-,23-,24-/m0/s1
C24H32O6416.50732100
839554

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22+,23-,24-/m1/s1
C24H32O6416.50732100
62537053

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16+,17-,19+,21+,22-,23-,24+/m0/s1
C24H32O6416.50732200
62560174

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17+,19-,21+,22-,23+,24-/m0/s1
C24H32O6416.50732200
114390306

6 of 8 defined stereocentres - 6/8 defined

Non-standard isotope
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17?,19-,21+,22-,23-,24-/m0/s1/i5D,10D,11D2,13D,21D
C24H26D6O6422.54432200
114390313

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17-,19-,21+,22-,23-,24-/m0/s1/i5D,10D,11D2,13D,21D
C24H26D6O6422.54431100
98606411

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16?,17-,19-,21+,22-,23-,24-/m0/s1
C24H32O6416.50731100
107442371

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1/i1D3
C24H29D3O6419.52581100
107446403

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16+,17+,19+,21?,22+,23+,24+/m1/s1/i5D,10D,11D2,13D,21D
C24H26D6O6422.54431100
12

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