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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 15 results

Search term: CBOMORHDRONZRN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444439

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
C20H30O5350.4492333710
29342006

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3+,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
C20H30O5350.44929900
29361781

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17?,19+/m0/s1
C20H30O5350.44928600
8017056

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3+,7-4+,13-12+/t15-,16+,17?,19+/m0/s1
C20H30O5350.44922100
8818166

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1/i3T,4T,6T,7T,12T,15T,16T,17T,19T
C20H21T9O5368.52222200
58183720

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3+,7-4+,13-12u/t15-,16+,17?,19+/m0/s1
C20H30O5350.44922100
4399293

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)
C20H30O5350.44922100
59696936

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3+,7-4+,13-12+/t15-,16+,17+,19+/m0/s1
C20H30O5350.44921100
129307612

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+
C20H30O5350.44921100
58170357

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
C20H29O5349.44181100

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