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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 14 results

Search term: IWSCITFBDCQRGG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470877

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20+/m0/s1
C21H34O4350.492265500
23135922

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20?/m1/s1
C21H34O4350.49233300
23135923

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19?,20?/m0/s1
C21H34O4350.49233300
23135925

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19?,20?/m1/s1
C21H34O4350.49233300
23135926

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20?/m0/s1
C21H34O4350.49233300
23135954

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19?,20?/m0/s1
C21H34O4350.49233300
23135972

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19?,20?/m0/s1
C21H34O4350.49233300
23135973

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19?,20?/m1/s1
C21H34O4350.49233300
23136304

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19?,20?/m1/s1
C21H34O4350.49233300
4946062

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19-,20-/m0/s1
C21H34O4350.49232200
8219057

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m1/s1
C21H34O4350.49232200
8625965

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17-,18+,19+,20-/m1/s1
C21H34O4350.49232100
17231677

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19+,20+/m1/s1
C21H34O4350.49231100
23143625

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17?,18?,19?,20?/m0/s1
C21H34O4350.49231100

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