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 21 results

Search term: LPZCCMIISIBREI (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7827519

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1
C30H50O426.7174303200
17466646

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26?,27?,28+,29-,30+/m1/s1
C30H50O426.71749500
4945506

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25+,26+,27+,28+,29-,30+/m1/s1
C30H50O426.717491100
4527121

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-
C30H50O426.71745500
4952799

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20?,21-,24+,25-,26-,27-,28-,29+,30-/m0/s1
C30H50O426.71743300
4446727

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25+,26+,27+,28?,29-,30+/m1/s1
C30H50O426.7174000000013300
4475119

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20?,21?,24-,25?,26?,27?,28+,29-,30+/m1/s1
C30H50O426.71742200
4476141

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25?,26?,27?,28+,29-,30+/m1/s1
C30H50O426.71742200
543201

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3
C30H50O426.71742100
1395877

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21-,24+,25+,26-,27+,28-,29-,30+/m1/s1
C30H50O426.71742100
4445214

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24?,25?,26?,27?,28+,29-,30+/m1/s1
C30H50O426.7174000000012200
10050265

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27-,28+,29-,30+/m1/s1
C30H50O426.71742100
10050266

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26-,27-,28+,29-,30+/m1/s1
C30H50O426.71742100
10050267

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26-,27+,28+,29-,30+/m1/s1
C30H50O426.71742100
58779838

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1/i1D3,8D
C30H46D4O430.7422200
68016698

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/t20-,21+,24-,25+,26?,27?,28+,29-,30+/m1/s1
C30H50O426.71741100
78075792

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25?,26+,27+,28+,29-,30+/m1/s1
C30H50O426.71741200
113608584

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/t20-,21+,24+,25+,26+,27-,28+,29-,30-/m1/s1
C30H50O426.71741100
12

Advertisement