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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 16 results

Search term: MCQNPWNREVNWDQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460040

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29?/m1/s1
C29H45NO3455.672514800
230521

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3
C29H45NO3455.6725131200
10181204

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H45NO3455.672512700
276643

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18?,21-,22+,23?,24?,25?,26?,27-,28-,29-/m1/s1
C29H45NO3455.67252200
5145748

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21?,22-,23+,24-,25+,26+,27-,28-,29-/m0/s1
C29H45NO3455.67252100
8564752

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22?,23?,24+,25?,26?,27+,28+,29-/m1/s1
C29H45NO3455.67252100
24692143

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29+/m1/s1
C29H45NO3455.67252200
26358907

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21-,22+,23-,24+,25+,26-,27+,28+,29+/m0/s1
C29H45NO3455.67252200
58841488

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18-,21+,22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
C29H45NO3455.67251100
73998641

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25-,26+,27+,28-,29?/m0/s1
C29H45NO3455.67251100
78361746

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29?/m0/s1
C29H45NO3455.67251100
113598326

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
C29H45NO3455.67251100
127384086

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26?,27+,28+,29-/m1/s1
C29H45NO3455.67251100
2497067

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18-,21+,22-,23-,24-,25-,26-,27-,28+,29-/m1/s1
C29H45NO3455.67251100
17610948

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17-,18+,21-,22-,23+,24-,25+,26+,27-,28-,29-/m0/s1
C29H45NO3455.67251100
20001980

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18-,21?,22+,23-,24-,25-,26-,27-,28-,29?/m0/s1
C29H45NO3455.67251100

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