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: JNBOAUIJLDEICX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952530

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m1/s1
C22H35NO3361.5182242400
5254714

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1
C22H35NO3361.5182141200
14474479

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6+,16-15+
C22H35NO3361.518212800
8104529

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+
C22H35NO3361.51827500
5042573

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3
C22H35NO3361.51824300
5036343

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15-/t21-,22+/m0/s1
C22H35NO3361.51823300
65793388

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15u/t21-,22+/m1/s1
C22H35NO3361.51822200
68895041

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6+,16-15u/t21-,22+/m0/s1
C22H35NO3361.51822100
78430826

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6u,16-15+/t21-,22+/m0/s1
C22H35NO3361.51821100
78433510

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6+,16-15+/t21-,22+/m0/s1
C22H35NO3361.51821100
107446208

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m1/s1/i8D2,9D2
C22H31D4NO3365.54281200
128947706

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6+,16-15u/t21-,22+/m1/s1
C22H35NO3361.51821100
57643289

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6+,16-15+/t21-,22-/m0/s1
C22H35NO3361.51821100

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