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 17 results

Search term: MCRJLMXYVFDXLS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8217157

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+
C20H30O3318.4504292900
4446313

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
C20H30O3318.4504284100
4446312

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
C20H30O3318.4504161800
4947422

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7+,11-8+,13-10+,17-14+
C20H30O3318.4504101000
62914845

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7+,11-8+,13-10+,17-14u
C20H30O3318.450471000
21467220

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8+,13-10-,17-14+
C20H30O3318.45045500
21467221

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8+,13-10-,17-14+/t19-/m1/s1
C20H30O3318.45044300
23352984

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)
C20H30O3318.45043200
8556673

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
C20H30O3318.45042100
9805856

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7+,11-8+,13-10+,17-14+/t19-/m0/s1
C20H30O3318.45042100
9855992

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
C20H30O3318.45042100
58170372

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b4-3-,9-7-,11-8-,13-10-,17-14+
C20H29O3317.4431200
114814715

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3+,9-7+,11-8+,13-10+,17-14u/t19-/m1/s1
C20H30O3318.45041100

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