Matches any text strings used to describe a molecule.
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 41 results

Search term: HIFJCPQKFCZDDL (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470703

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
C22H32O4360.48708576000
4940161

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1
C22H32O4360.4871253300
9813831

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17-,18+,19-,20+,21+/m0/s1
C22H32O4360.4871232400
26326994

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1
C22H32O4360.4871212600
9112536

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18+,19-,20+,21+/m0/s1
C22H32O4360.4871171900
29341908

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20-,21+/m0/s1
C22H32O4360.487110900
29341909

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18+,19-,20-,21+/m0/s1
C22H32O4360.48718600
57577990

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/t15?,17-,18+,19-,20+,21+/m0/s1
C22H32O4360.48714100
26377926

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1/i12T/t12?,15?,17-,18+,19-,20+,21+
C22H31TO4362.49524400
20142629

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+
C22H32O4360.48714119700
8060919

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-
C22H32O4360.48714300
4940079

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18?,19-,20-,21+/m0/s1
C22H32O4360.48714400
8151399

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18?,19-,20+,21+/m0/s1
C22H32O4360.48713100
21374367

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)
C22H32O4360.48713300
25995410

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/t15?,17-,18?,19-,20+,21+/m0/s1
C22H32O4360.48713100
48062523

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1/i5D2,6D2
C22H28D4O4364.51173500
77498877

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8-/t15?,17-,18+,19-,20+,21+/m0/s1/i5D2,6D2
C22H28D4O4364.51172100
26567448

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15u,17?,18-,19?,20?,21-/m1/s1
C22H32O4360.48712100
24828883

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8u/t15?,17-,18?,19-,20+,21+/m0/s1
C22H32O4360.48712200
123

Advertisement