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 28 results

Search term: IZVFFXVYBHFIHY (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59151

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
C27H46O386.65355469290
72380140

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21-,23-,24+,25+,26+,27-/m1/s1
C27H46O386.65358900
5142768

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19?,20-,21-,23?,24?,25?,26-,27+/m0/s1
C27H46O386.65356400
8105728

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20?,21+,23-,24+,25+,26+,27-/m1/s1
C27H46O386.653565720
4937956

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19?,20-,21-,23?,24?,25?,26?,27?/m0/s1
C27H46O386.65354400
17346461

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21?,23?,24?,25?,26?,27?/m1/s1
C27H46O386.65354300
58785261

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
C27H39D7O393.69674400
16788144

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20?,21?,23-,24+,25+,26+,27-/m1/s1
C27H46O386.6535315230
4934090

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19?,20-,21+,23?,24?,25?,26?,27?/m1/s1
C27H46O386.65353300
8105729

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24?,25?,26+,27-/m1/s1
C27H46O386.65352100
21232876

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-/m1/s1
C27H46O386.65352100
21239179

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23+,24-,25+,26-,27+/m0/s1
C27H46O386.65352100
62463985

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20-,21+,23-,24-,25-,26-,27+/m1/s1
C27H46O386.65352200
62463987

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21-,23-,24+,25+,26+,27-/m0/s1
C27H46O386.65352200
62464001

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20-,21+,23+,24+,25-,26-,27+/m1/s1
C27H46O386.65352200
62464002

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20-,21+,23-,24+,25-,26-,27+/m1/s1
C27H46O386.65352200
113618504

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20-,21-,23+,24-,25-,26-,27+/m0/s1
C27H46O386.65351100
114391538

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21-,23+,24+,25-,26-,27-/m1/s1
C27H46O386.65351100
114393848

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20-,21+,23+,24-,25-,26-,27+/m1/s1
C27H46O386.65351100
12

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