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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
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Found 27 results

Search term: ICMWWNHDUZJFDW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444502

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H32O3332.47761872551
2297315

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H32O3332.47721212530
9518

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
C21H32O3332.477121100
2298779

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-
C21H32O3332.47698921600
22886566

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15?,16?,17?,19-,20-,21-/m0/s1
C21H32O3332.4778300
28290707

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14?,15-,16+,17+,19+,20+,21-/m1/s1
C21H32O3332.4776500
17347109

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16?,17-,19-,20-,21-/m0/s1
C21H32O3332.47761000
4937679

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15?,16?,17?,19?,20?,21-/m0/s1
C21H32O3332.4774500
21160585

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14?,15-,16+,17+,19+,20+,21+/m1/s1
C21H32O3332.4774400
21587223

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14?,15-,16+,17+,19+,20+,21-/m1/s1
C21H32O3332.4773200
4477

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3
C21H32O3332.4773200
16740054

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14?,15-,16+,17+,19+,20+,21+/m1/s1
C21H32O3332.4772400
21117694

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21-/m1/s1
C21H32O3332.4772200
24589231

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14?,15?,16?,17?,19-,20-,21-/m0/s1
C21H32O3332.4772200
65322671

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12+/t14-,15+,16-,17-,19-,20-,21?/m0/s1
C21H32O3332.4772200
78429285

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19?,20?,21-/m0/s1
C21H32O3332.4771100
78429305

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15?,16-,17-,19-,20-,21-/m0/s1
C21H32O3332.4771100
78429451

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14?,15?,16?,17?,19?,20?,21-/m0/s1
C21H32O3332.4771100
12

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