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 63 results

Search term: HCXVJBMSMIARIN (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444352

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O412.6908109155861404
4444707

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O412.69082305000
4516718

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+
C29H48O412.69081447310
9091897

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O412.690882000
9936132

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8-/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O412.6908550143
20118030

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23?,24+,25-,26+,27+,28+,29-/m1/s1
C29H48O412.69085554
22906544

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
C29H48O412.69085500
23089619

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24?,25+,26?,27?,28-,29+/m0/s1
C29H48O412.6908558440
5257105

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21?,23+,24?,25-,26?,27?,28+,29-/m1/s1
C29H48O412.69085600
24589995

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
C29H48O412.69085500
4937967

Double-bond stereo

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m0/s1
C29H48O412.690851900
109259

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3
C29H48O412.69085600
4952801

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8-/t20?,21?,23-,24-,25+,26-,27?,28-,29+/m0/s1
C29H48O412.69084400
4510576

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8-
C29H48O412.69084500
64919830

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
C29H48O412.69083300
24541015

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/t20-,21-,23+,24-,25?,26+,27-,28+,29+/m1/s1
C29H48O412.69083300
5140766

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/t20-,21?,23+,24?,25-,26?,27?,28+,29-/m1/s1
C29H48O412.690831600
1266015

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23-,24+,25+,26+,27+,28+,29-/m1/s1
C29H48O412.69082200
1266461

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23-,24-,25-,26+,27+,28-,29+/m0/s1
C29H48O412.69082200
4479232

Double-bond stereo

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23?,24?,25?,26?,27?,28-,29+/m0/s1
C29H48O412.69082200
1234

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