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
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Found 76 results

Search term: C39H44N2O7 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65282

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
C39H44N2O7652.7759413100
272592

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3
C39H44N2O7652.7759302500
140498

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
C39H44N2O7652.7759191100
285004

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3
C39H44N2O7652.7759161500
4479537

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)19-24-10-13-31(42-3)33(20-24)47-26-11-8-23(9-12-26)18-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
C39H44N2O7652.7759151400
369467

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3
C39H44N2O7652.77598900
4479533

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H44N2O7/c1-40-15-13-26-20-34(43-4)35(44-5)21-29(26)31(40)18-25-9-12-33(42-3)36(19-25)48-27-10-7-24(8-11-27)17-32-30-22-37-39(47-23-46-37)38(45-6)28(30)14-16-41(32)2/h7-12,19-22,31-32H,13-18,23H2,1-6H3/t31-,32-/m0/s1
C39H44N2O7652.77596400
21531717

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30+/m1/s1
C39H44N2O7652.77593100
23185310
InChI=1/C39H44N2O7/c1-43-36-18-34-35(19-37(36)44-11-10-42)40-39(29-14-32(47-22-26-6-7-26)17-33(15-29)48-23-27-8-9-27)41-38(34)28-12-30(45-20-24-2-3-24)16-31(13-28)46-21-25-4-5-25/h12-19,24-27,42H,2-11,20-23H2,1H3
C39H44N2O7652.77593300
58892293

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H44N2O7/c1-6-47-39(46)33(23-28-12-16-30(42)17-13-28)40-36(43)34(24-27-10-8-7-9-11-27)41-37(44)32(22-26(4)5)35(38(41)45)29-14-18-31(19-15-29)48-21-20-25(2)3/h7-20,26,33-34,42H,6,21-24H2,1-5H3,(H,40,43)/t33-,34?/m0/s1
C39H44N2O7652.77593300
64882892

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H44N2O7/c1-40-15-13-26-20-34(43-4)35(44-5)21-29(26)31(40)18-25-9-12-33(42-3)36(19-25)48-27-10-7-24(8-11-27)17-32-30-22-37-39(47-23-46-37)38(45-6)28(30)14-16-41(32)2/h7-12,19-22,31-32H,13-18,23H2,1-6H3
C39H44N2O7652.77593200
321827

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29?,30-/m0/s1
C39H44N2O7652.77593200
2573485

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H44N2O7/c1-4-20-46-39(45)40-22-32-8-5-6-11-34(32)28-16-18-30(19-17-28)38-47-36(24-41(3)23-35(44)31-9-7-10-33(43)21-31)26(2)37(48-38)29-14-12-27(25-42)13-15-29/h4-19,21,26,35-38,42-44H,1,20,22-25H2,2-3H3,(H,40,45)
C39H44N2O7652.77592100
3273057

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H44N2O7/c1-26(38(46)30-9-4-3-5-10-30)41(2)24-34-22-35(29-16-14-27(25-42)15-17-29)48-39(47-34)33-13-7-12-32(21-33)31-11-6-8-28(20-31)23-40-36(43)18-19-37(44)45/h3-17,20-21,26,34-35,38-39,42,46H,18-19,22-25H2,1-2H3,(H,40,43)(H,44,45)
C39H44N2O7652.77592100
3286533

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C39H44N2O7/c42-25-34-22-30-17-11-12-20-33(30)24-41(34)36(43)23-31-18-9-1-2-10-19-32(21-28-13-5-3-6-14-28)38(45)48-27-35(40-37(31)44)39(46)47-26-29-15-7-4-8-16-29/h1,3-9,11-17,20,31-32,34-35,42H,2,10,18-19,21-27H2,(H,40,44)
C39H44N2O7652.77592100
3550755

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H44N2O7/c1-26(38(46)30-8-4-3-5-9-30)41(2)24-33-22-35(29-14-12-27(25-42)13-15-29)48-39(47-33)31-18-16-28(17-19-31)34-11-7-6-10-32(34)23-40-36(43)20-21-37(44)45/h3-19,26,33,35,38-39,42,46H,20-25H2,1-2H3,(H,40,43)(H,44,45)
C39H44N2O7652.7758599999982100
3615630

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H44N2O7/c1-4-18-46-39(45)40-22-28-8-5-9-30(19-28)31-10-6-12-33(20-31)38-47-36(24-41(3)23-35(44)32-11-7-13-34(43)21-32)26(2)37(48-38)29-16-14-27(25-42)15-17-29/h4-17,19-21,26,35-38,42-44H,1,18,22-25H2,2-3H3,(H,40,45)
C39H44N2O7652.7758599999982100
3619530

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C39H44N2O7/c1-25(36(44)30-14-9-6-10-15-30)41(4)23-34-35(29-12-7-5-8-13-29)37(31-20-18-28(24-42)19-21-31)48-39(47-34)32-16-11-17-33(22-32)40-38(45)26(2)46-27(3)43/h5-22,25-26,34-37,39,42,44H,23-24H2,1-4H3,(H,40,45)
C39H44N2O7652.7758599999982100
3620289

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C39H44N2O7/c1-26(38(46)31-8-4-3-5-9-31)41(2)24-34-22-35(30-13-11-27(25-42)12-14-30)48-39(47-34)32-17-15-29(16-18-32)33-10-6-7-28(21-33)23-40-36(43)19-20-37(44)45/h3-18,21,26,34-35,38-39,42,46H,19-20,22-25H2,1-2H3,(H,40,43)(H,44,45)
C39H44N2O7652.7758599999982100
3875179

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H44N2O7/c1-40-16-14-24-20-32(43-4)33-22-28(24)29(40)18-23-8-11-27(12-9-23)47-38-31(42-3)13-10-26(36(38)45-6)19-30-35-25(15-17-41(30)2)21-34(44-5)37(46-7)39(35)48-33/h8-13,20-22,29-30H,14-19H2,1-7H3
C39H44N2O7652.77592100
1234

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