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 27 results

Search term: INBGSXNNRGWLJU (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58604

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H46O2402.65298018990036
19969410

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20?,21+,22-,23+,24+,26+,27-/m1/s1
C27H46O2402.65291861606
24823282

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
C27H40D6O2408.6899141600
477099

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3
C27H46O2402.65298800
2497512

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3/t18-,20+,21+,22-,23+,24+,25?,26+,27-
C27H43D3O2405.67144500
29341795

4 of 8 defined stereocentres - 4/8 defined

Non-standard isotope
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21?,22?,23?,24?,26+,27-/m1/s1/i2D3,3D3
C27H40D6O2408.68994200
34998257

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20?,21+,22-,23+,24+,26+,27-/m1/s1/i12D2,15D2,17D,20D/t17?,18-,20?,21+,22-,23+,24+,26+,27-
C27H40D6O2408.68993600
59697163

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23?,24?,26+,27-/m1/s1
C27H46O2402.65293200
23215594

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18?,20-,21?,22+,23-,24-,26-,27+/m0/s1
C27H46O2402.65292200
24774778

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21?,22?,23?,24?,26+,27-/m1/s1
C27H46O2402.65292100
57268837

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22?,23+,24+,26+,27-/m1/s1
C27H46O2402.65292100
58785530

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24?,26+,27-/m1/s1/i2D3,3D3
C27H40D6O2408.68992100
7998209

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18?,20-,21?,22?,23?,24?,26?,27?/m0/s1
C27H46O2402.65292100
78431624

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18?,20?,21-,22-,23+,24+,26-,27+/m0/s1
C27H46O2402.65291100
78431890

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21-,22-,23-,24-,26+,27-/m1/s1
C27H46O2402.65291100
113606500

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20-,21-,22+,23-,24-,26-,27+/m1/s1
C27H46O2402.65291100
114391844

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22+,23+,24-,26-,27-/m1/s1
C27H46O2402.65291100
122900973

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m0/s1
C27H46O2402.65291100
12

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