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 13 results

Search term: KYKUTNUWXQVSSU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9158840

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28+/m0/s1
C28H35N3O4477.59528700
383094

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)
C28H35N3O4477.59526300
8249293

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19?,26-,27+,28+/m0/s1
C28H35N3O4477.59526700
2339152

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26?,27?,28+/m0/s1
C28H35N3O4477.59524400
30845626

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26+,27-,28-/m1/s1
C28H35N3O4477.59522200
8776385

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1,10+1,11+1,19+1,26+1
C1813C10H35N3O4487.52172100
8776592

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i1+1,2+1,3+1,4+1,6+1,7+1,10+1,11+1,12+1,13+1,14+1,19+1,23+1,24+1,25+1,26+1
C1213C16H35N3O4493.47772100
8799892

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i5+1,22+1
C2613C2H35N3O4479.58052100
8823700

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i5+1
C2713CH35N3O4478.58792100
8847819

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i12+1,13+1,14+1,23+1,24+1,25+1
C2213C6H35N3O4483.55112100
8894783

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28-/m0/s1/i23+1
C2713CH35N3O4478.58792100
111307120

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27-,28+/m0/s1
C28H35N3O4477.59521100

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