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
Additional Filters

Found 24 results

Search term: SYWHXTATXSMDSB (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
196144

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
C23H31FO6422.487851051130
5142811

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18-,20-,21-,22-,23-/m0/s1
C23H31FO6422.487181400
3253

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3
C23H31FO6422.487102300
10130

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18?,20?,21?,22?,23-/m0/s1
C23H31FO6422.4878600
60958871

5 of 7 defined stereocentres - 5/7 defined

Non-standard isotope
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18-,20-,21-,22-,23-/m0/s1/i4D2,6D2,12D2
C23H25D6FO6428.5248700
21112105

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18?,20?,21?,22-,23?/m0/s1
C23H31FO6422.48752930
58801772

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23?/m0/s1
C23H31FO6422.4873300
4642437

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17?,18-,20?,21?,22-,23-/m0/s1
C23H31FO6422.4873200
4932246

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18?,20?,21?,22-,23-/m0/s1
C23H31FO6422.4873300
5036552

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18+,20+,21+,22+,23-/m1/s1
C23H31FO6422.4873300
62613029

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17+,18+,20+,21+,22+,23+/m1/s1
C23H31FO6422.4873300
62299425

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18+,20+,21+,22-,23+/m1/s1
C23H31FO6422.4872200
839546

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18+,20+,21-,22+,23-/m0/s1
C23H31FO6422.4872100
58817346

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21?,22-,23-/m0/s1
C23H31FO6422.4871100
78429633

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16?,17?,18?,20-,21-,22-,23-/m0/s1
C23H31FO6422.4871100
107443616

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17+,18+,20+,21+,22-,23-/m1/s1
C23H31FO6422.4871100
107446421

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1/i4D2,6D2,12D2
C23H25D6FO6428.5241500
111310263

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17+,18+,20+,21+,22-,23-/m0/s1
C23H31FO6422.4871100
114813796

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17+,18-,20+,21+,22-,23-/m0/s1
C23H31FO6422.4871100
115011007

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1/i4D2,6D2,10D
C23H26D5FO6427.51791100
12

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