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 10 results

Search term: MGPINEQSKAFLSF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9961930

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23-,24+,25-,26-,27+,29+,30-,31+,32+,34-,35+/m1/s1
C35H48ClNO10678.2093871515
9977327

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23+,24+,25+,26-,27+,29-,30-,31+,32+,34-,35+/m0/s1
C35H48ClNO10678.20932100
10476421

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23+,24+,25+,26-,27+,29+,30-,31+,32+,34-,35+/m0/s1
C35H48ClNO10678.20932200
8660080

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15-/t20-,21-,22+,23+,24+,25+,26-,27+,29?,30-,31+,32+,34-,35+/m0/s1
C35H48ClNO10678.20932100
28282313

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15-/t20-,21-,22+,23-,24+,25-,26-,27+,29+,30-,31+,32?,34-,35+/m1/s1
C35H48ClNO10678.20931100
28288259

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23?,24+,25-,26-,27+,29+,30-,31+,32+,34-,35+/m1/s1
C35H48ClNO10678.20931200
58827062

Double-bond stereo

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23-,24?,25-,26-,27+,29+,30-,31+,32+,34-,35?/m1/s1
C35H48ClNO10678.20931100
74093795

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23-,24-,25-,26-,27+,29+,30-,31+,32+,34-,35+/m0/s1
C35H48ClNO10678.20931100
74095736

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23-,24+,25-,26-,27+,29+,30+,31+,32-,34-,35+/m1/s1
C35H48ClNO10678.20931100
75555455

Double-bond stereo

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23?,24+,25?,26-,27+,29+,30-,31+,32+,34-,35+/m1/s1
C35H48ClNO10678.20931100

Advertisement