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 21 results

Search term: IOIZWEJGGCZDOL (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110306

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
C27H44O2400.63716015300
4447368

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1
C27H44O2400.637060000001202200
58783597

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1/i1D3,2D3,17D
C27H37D7O2407.6802111500
48063837

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1/i1D3,2D3,17D
C27H37D7O2407.68024600
77498419

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25?,26+,27-/m1/s1/i1D3,2D3,17D
C27H37D7O2407.68023300
77498422

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25?,26+,27-/m1/s1
C27H44O2400.63713300
19980515

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24?,25+,26+,27-/m1/s1
C27H44O2400.63713101
389559

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18?,21?,22?,23?,24-,25?,26?,27?/m1/s1
C27H44O2400.63712200
58817144

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27?/m1/s1
C27H44O2400.63711100
71116567

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23-,24+,25-,26-,27+/m0/s1
C27H44O2400.63711100
29790109

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18?,21?,22?,23?,24?,25-,26-,27+/m0/s1
C27H44O2400.63711100
29790110

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18?,21?,22?,23?,24-,25-,26-,27+/m0/s1
C27H44O2400.63711100
107443707

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25-,26-,27+/m0/s1
C27H44O2400.63711300
111309405

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23-,24-,25-,26-,27+/m1/s1
C27H44O2400.63711100
111309406

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23-,24+,25-,26-,27+/m1/s1
C27H44O2400.63711100
113618494

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21+,22-,23-,24-,25-,26-,27+/m0/s1
C27H44O2400.63711100
128733903

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1/i1+1,2+1,6+1,7+1,17+1
C2213C5H44O2405.60031100
12

Advertisement