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 29 results

Search term: C40H79NO4 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97741
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41(35-37-42)36-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3
C40H79NO4638.0596131400
23349580

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41-35-38(36-42)37-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,42H,3-37H2,1-2H3,(H,41,43)
C40H79NO4638.05967900
57618007

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39-/m0/s1
C40H79NO4638.05965300
58801528

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39+/m0/s1
C40H79NO4638.05964300
28639052

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C40H79NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-39(44)40(45)41-37(35-42)38(43)33-30-27-24-22-19-20-23-26-29-32-36(2)3/h30,33,36-39,42-44H,4-29,31-32,34-35H2,1-3H3,(H,41,45)/b33-30+/t37-,38+,39?/m0/s1
C40H79NO4638.05963400
9939393

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3/t38-/m0/s1
C40H79NO4638.05963200
10472640

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37,40,42,45H,3-36H2,1-2H3,(H,41,44)
C40H79NO4638.05962200
9247452

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37,40,42,45H,3-36H2,1-2H3,(H,41,44)/t37-,40-/m0/s1
C40H79NO4638.05962100
9506100

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+
C40H79NO4638.05962100
28685889

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,37-38,40,42-43,45H,3-25,27,29-36H2,1-2H3,(H,41,44)
C40H79NO4638.05962100
23351583

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H79NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(43)41-40(3,36-42)37-45-39(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-37H2,1-3H3,(H,41,43)
C40H79NO4638.05962100
64885507

Double-bond stereo
InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;16-17H,2-15H2,1H3,(H,19,20)/b10-9+;17-16+
C40H79NO4638.05962200
21167749

Double-bond stereo
InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9-
C40H79NO4638.05962200
95705248

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,42H,3-36,41H2,1-2H3
C40H79NO4638.05961100
113381129

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39?/m0/s1
C40H79NO4638.05961100
113381142

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39?/m0/s1
C40H79NO4638.05961100
113381192

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(45)41-38(36-42)39(44)35-34-37(43)32-30-28-26-24-14-12-10-8-6-4-2/h34-35,37-39,42-44H,3-33,36H2,1-2H3,(H,41,45)/b35-34+/t37-,38+,39-/m1/s1
C40H79NO4638.05961100
113381207

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39?/m0/s1
C40H79NO4638.05961100
113381249

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C40H79NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-37(43)35-40(45)41-38(36-42)39(44)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39-/m1/s1
C40H79NO4638.05961100
21167748

Double-bond stereo
InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;16-17H,2-15H2,1H3,(H,19,20)
C40H79NO4638.05961100
12

Advertisement