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: LVRAKYNQYKVPIK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92400

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H46O4458.6731231800
196291

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H46O4458.6731212200
276847

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3
C29H46O4458.6731122800
17460029

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21?,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H46O4458.673110500
17466582

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21-,22-,23?,24?,25+,26+,27+,28+,29-/m1/s1
C29H46O4458.67318400
5140815

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17?,18-,20+,21-,22?,23?,24?,25?,26?,27-,28-,29-/m0/s1
C29H46O4458.67316400
5140823

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17?,18-,20-,21-,22?,23?,24?,25?,26?,27-,28-,29-/m0/s1
C29H46O4458.67315300
8846943

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18-,20+,21-,22+,23-,24-,25-,26-,27-,28-,29+/m0/s1
C29H46O4458.673153010
21781480

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17?,18-,20?,21?,22?,23?,24?,25?,26?,27?,28?,29+/m0/s1
C29H46O4458.67314300
22903079

1 of 12 defined stereocentres - 1/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17?,18?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?/m0/s1
C29H46O4458.67312100
31106271

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17?,18-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-/m0/s1
C29H46O4458.67312200
4508499

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-/m1/s1
C29H46O4458.67312100
82965386

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
C29H46O4458.67312100
113598302

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21-,22-,23?,24?,25+,26+,27+,28+,29-/m0/s1
C29H46O4458.67311100
113609424

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23-,24+,25+,26-,27-,28-,29+/m1/s1
C29H46O4458.67311100
114812696

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20+,21+,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1
C29H46O4458.67311100
114813847

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-/m1/s1
C29H46O4458.67311100
58817283

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,23+,24+,25+,26+,27?,28?,29-/m1/s1
C29H46O4458.67311100
12

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