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 14 results

Search term: NQGYOUYEGZOZBN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460027

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27-/m0/s1
C27H45NO3431.651112700
17472050

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65118700
21270289

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22?,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65118600
2558173

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3
C27H45NO3431.65115400
17460667

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1
C27H45NO3431.65115200
17471999

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18-,19?,20+,21+,22?,23-,24+,25-,26?,27+/m1/s1
C27H45NO3431.65114100
17468624

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21?,22?,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65113100
4477300

5 of 13 defined stereocentres - 5/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17?,18?,19-,20?,21?,22-,23?,24?,25?,26-,27?/m1/s1
C27H45NO3431.65112200
4477302

6 of 13 defined stereocentres - 6/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17?,18?,19-,20?,21?,22-,23?,24?,25-,26-,27?/m1/s1
C27H45NO3431.65112200
3499960

Charge

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/p+1
C27H46NO3432.6590400000011100
21470727

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21-,22?,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65111100
67029971

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+/m0/s1
C27H45NO3431.65111100
110092063

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27-/m1/s1
C27H45NO3431.65111100
113597835

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m0/s1
C27H45NO3431.65111100

Advertisement