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 20 results

Search term: MKGZDUKUQPPHFM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946289

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.6749373500
29365011

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21+,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.6749131100
4516712

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+
C29H46O410.6749121100
10238459

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.67497700
5257123

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20?,21-,24?,25?,26?,27?,28+,29-/m1/s1
C29H46O410.67495400
58170639

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.67494700
77499214

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25+,26+,27+,28+,29-/m1/s1
C29H46O410.67494500
5142864

Double-bond stereo

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20?,21-,24?,25?,26?,27?,28+,29-/m1/s1
C29H46O410.67493200
224122

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3
C29H46O410.67493300
29814151

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26?,27?,28+,29-/m1/s1
C29H46O410.67493100
4980937

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20?,21-,24?,25-,26?,27?,28+,29-/m1/s1
C29H46O410.67492200
28424254

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24?,25-,26?,27?,28+,29-/m1/s1
C29H46O410.67492100
95532246

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20?,21?,24-,25+,26-,27-,28-,29+/m0/s1
C29H46O410.67491100
103884925

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.67491100
111312163

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25+,26+,27+,28+,29-/m0/s1
C29H46O410.67491100
113611671

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24-,25-,26+,27+,28+,29+/m1/s1
C29H46O410.67491100
58816769

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29?/m1/s1
C29H46O410.67491100
60499080

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20-,21+,24-,25+,26-,27-,28-,29+/m0/s1
C29H46O410.67491100
68057707

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20-,21+,24+,25-,26+,27+,28+,29-/m1/s1
C29H46O410.67491100

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