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
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Found 10 results

Search term: MBPTXJNHCBXMBP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9316811

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20+/m0/s1
C20H30O3318.4504352900
4952695

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20?/m0/s1
C20H30O3318.45045500
8240030

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-/t15-,16+,19-,20+/m0/s1
C20H30O3318.45043100
9056963

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20-/m0/s1
C20H30O3318.45043200
23196193

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-/t15-,16+,19-,20?/m0/s1
C20H30O3318.45042200
82964260

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20+/m1/s1
C20H30O3318.45042100
4476315

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15?,16-,19?,20-/m1/s1
C20H30O3318.45042200
113611824

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-/t15-,16+,19-,20-/m0/s1
C20H30O3318.45041100
35014427

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5-
C20H30O3318.45041100

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