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 8 results

Search term: YVDWEKJDGYJOJU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4948083

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23-/t20-,21-,26+,27+/m1/s1
C27H43N5O453.66326400
4534125

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23-
C27H43N5O453.66324300
68026734

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23u/t20-,21-,26+,27+/m1/s1
C27H43N5O453.66323200
321607

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12u,28-23-
C27H43N5O453.66322100
8179655

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23-/t20-,21?,26+,27+/m1/s1
C27H43N5O453.66322100
10143222

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23-/t20?,21?,26-,27?/m0/s1
C27H43N5O453.66322200
32778285

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23+/t20?,21?,26-,27?/m0/s1
C27H43N5O453.66321100
58843146

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H43N5O/c1-19(12-16-32-18-30-24-22(32)23(28-6)29-17-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17-18,20-21,33H,8-11,13-16H2,1-7H3/b19-12+,28-23+/t20-,21?,26-,27+/m0/s1
C27H43N5O453.66321100

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