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 19 results

Search term: XIWMRKFKSRYSIJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2299095

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
C27H42O382.62178000000136591646
17466442

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24?,25?,26+,27-/m1/s1
C27H42O382.62189500
240821

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3
C27H42O382.62188900
5140934

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19?,22?,23-,24?,25?,26+,27-/m1/s1
C27H42O382.62183200
22889579

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19?,22?,23?,24?,25?,26?,27-/m1/s1
C27H42O382.62183100
77498598

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22-,23-,24+,25+,26-,27+/m0/s1
C27H42O382.62183200
107446975

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
C27H35D7O389.66493600
7975919

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19?,22?,23-,24?,25?,26?,27?/m1/s1
C27H42O382.62182100
10050189

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25-,26+,27-/m1/s1
C27H42O382.62182100
10050190

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24-,25-,26+,27-/m1/s1
C27H42O382.62182100
10050191

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24-,25+,26+,27-/m1/s1
C27H42O382.62182100
1393868

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23+,24+,25-,26+,27-/m1/s1
C27H42O382.62182100
1393869

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23+,24-,25-,26+,27-/m1/s1
C27H42O382.62182100
1393870

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27-/m1/s1
C27H42O382.62182100
111310113

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22-,23-,24+,25+,26-,27+/m1/s1
C27H42O382.62181100
58781413

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22-,23+,24-,25-,26-,27+/m0/s1
C27H42O382.62181100
64849328

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19?,22-,23+,24-,25-,26-,27+/m0/s1
C27H42O382.62181100

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