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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 17 results

Search term: CTXLUMAOXBULOZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446178

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1
C21H34O5366.4917302800
4446223

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1
C21H34O5366.49166242300
21466979

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16?,17-,18?,21-/m1/s1
C21H34O5366.49175300
23246986

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21-/m1/s1
C21H34O5366.49174300
28512390

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,21+/m1/s1
C21H34O5366.49174300
58183735

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12u/t16-,17-,18+,21-/m1/s1
C21H34O5366.49173200
58183736

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12u/t16-,17-,18+,21+/m1/s1
C21H34O5366.49173100
23235935

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17?,18+,21+/m1/s1
C21H34O5366.49172200
8174583

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17?,18+,21-/m1/s1
C21H34O5366.49172100
68057626

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12u/t16-,17-,18+,21+/m1/s1
C21H34O5366.49171100
95600711

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12u/t16?,17-,18?,21-/m1/s1
C21H34O5366.49171100
95637585

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12-
C21H34O5366.49171100
111311846

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m0/s1
C21H34O5366.49171100
57528194

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/t16?,17-,18?,21-/m1/s1
C21H34O5366.49171100

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