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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 21 results

Search term: KAQKFAOMNZTLHT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445566

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
C20H32O5352.4651506812572100
4444093

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8u/t14-,16+,17+,18+,19-/m0/s1
C20H32O5352.465087800
4953143

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+/t14-,16-,17-,18-,19+/m1/s1
C20H32O5352.46517500
4939143

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17?,18+,19?/m0/s1
C20H32O5352.46516600
102770

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/t14-,16+,17+,18+,19-/m0/s1
C20H32O5352.4651537300
28589780

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-
C20H32O5352.46514300
23498603

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10-,15-8+/t14-,16+,17?,18+,19?/m0/s1
C20H32O5352.4651311255899
58190545

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+/t14-,16+,17+,18+,19-/m0/s1
C20H32O5352.46513200
8040064

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16?,17+,18+,19-/m0/s1
C20H32O5352.46513200
8150904

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+/t14-,16?,17+,18+,19+/m0/s1
C20H32O5352.46512100
71081531

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+/t14-,16?,17+,18-,19-/m0/s1
C20H32O5352.46512200
78221308

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m1/s1
C20H32O5352.46512200
26330774

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/p-1/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
C20H31O5351.45772200
34964074

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8u
C20H32O5352.46511100
78433666

Charge

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/p-1
C20H31O5351.45771100
67156226

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/t14-,16-,17-,18-,19+/m1/s1
C20H32O5352.46511100
10143019

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10u,15-8-/t14?,16-,17-,18?,19?/m1/s1
C20H32O5352.46511100
10605952

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8+
C20H32O5352.46511100
12

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