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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 23 results

Search term: C43H48N4O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21864732

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43+/m0/s1
C43H48N4O6716.864491000
158330

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3
C43H48N4O6716.86444300
2275688

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-27(2)40(47-42(51)36-25-37(48)33-20-11-12-21-34(33)45-36)43(52)46-35(23-31-18-9-6-10-19-31)38(49)24-32(22-30-16-7-5-8-17-30)44-39(50)26-53-41-28(3)14-13-15-29(41)4/h5-21,25,27,32,35,38,40,49H,22-24,26H2,1-4H3,(H,44,50)(H,45,48)(H,46,52)(H,47,51)/t32-,35-,38-,40+/m0/s1
C43H48N4O6716.8644199999983200
2280329

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-27(2)40(47-42(51)36-25-37(48)33-20-11-12-21-34(33)45-36)43(52)46-35(23-31-18-9-6-10-19-31)38(49)24-32(22-30-16-7-5-8-17-30)44-39(50)26-53-41-28(3)14-13-15-29(41)4/h5-21,25,27,32,35,38,40,49H,22-24,26H2,1-4H3,(H,44,50)(H,45,48)(H,46,52)(H,47,51)/t32-,35-,38+,40+/m0/s1
C43H48N4O6716.8644199999983200
24687814
InChI=1/C43H48N4O6/c1-28-34(24-42(44)48)36-22-32(50-3)16-18-38(36)46(28)26-30-12-6-8-14-40(30)52-20-10-5-11-21-53-41-15-9-7-13-31(41)27-47-29(2)35(25-43(45)49)37-23-33(51-4)17-19-39(37)47/h6-9,12-19,22-23H,5,10-11,20-21,24-27H2,1-4H3,(H2,44,48)(H2,45,49)
C43H48N4O6716.86443300
24689486
InChI=1/C43H48N4O6/c1-28-36(24-42(44)48)38-22-34(50-3)16-18-40(38)46(28)26-30-8-12-32(13-9-30)52-20-6-5-7-21-53-33-14-10-31(11-15-33)27-47-29(2)37(25-43(45)49)39-23-35(51-4)17-19-41(39)47/h8-19,22-23H,5-7,20-21,24-27H2,1-4H3,(H2,44,48)(H2,45,49)
C43H48N4O6716.86443300
24711043
InChI=1/C43H48N4O6/c1-28-36(24-42(44)48)38-22-32(50-3)14-16-40(38)46(28)26-30-10-8-12-34(20-30)52-18-6-5-7-19-53-35-13-9-11-31(21-35)27-47-29(2)37(25-43(45)49)39-23-33(51-4)15-17-41(39)47/h8-17,20-23H,5-7,18-19,24-27H2,1-4H3,(H2,44,48)(H2,45,49)
C43H48N4O6716.86443300
26607716

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C43H48N4O6/c1-50-29-9-5-7-27-32(29)47-23-39(18-24-19-41-21-31(48)53-30(41)10-14-45-15-12-43(27,34(24)47)37(41)45)22-46-16-11-42-26-6-3-4-8-28(26)44-33(42)25(35(49)51-2)20-40(36(42)46)13-17-52-38(39)40/h3-9,24,30,34,36-38,44H,10-23H2,1-2H3/t24-,30+,34+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
C43H48N4O6716.86442200
3306462

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C43H48N4O6/c1-3-23-51-42(50)44-26-32-9-7-10-34(24-32)35-11-8-12-36(25-35)40-52-38(30(2)39(53-40)33-17-15-31(28-48)16-18-33)27-46-21-19-43(20-22-46)41(49)45-29-47(43)37-13-5-4-6-14-37/h3-18,24-25,30,38-40,48H,1,19-23,26-29H2,2H3,(H,44,50)(H,45,49)
C43H48N4O6716.86442100
3346414

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C43H48N4O6/c48-26-31-11-14-36(53-31)38-32-12-13-33-37(42(51)46(40(33)49)29-15-19-44(20-16-29)24-27-7-3-1-4-8-27)34(32)23-35-39(38)43(52)47(41(35)50)30-17-21-45(22-18-30)25-28-9-5-2-6-10-28/h1-12,14,29-30,33-35,37-39,48H,13,15-26H2
C43H48N4O6716.8644199999982100
3382375

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C43H48N4O6/c1-3-25-51-42(50)44-26-35-9-7-8-12-37(35)32-17-19-34(20-18-32)40-52-38(30(2)39(53-40)33-15-13-31(28-48)14-16-33)27-46-23-21-43(22-24-46)41(49)45-29-47(43)36-10-5-4-6-11-36/h3-20,30,38-40,48H,1,21-29H2,2H3,(H,44,50)(H,45,49)
C43H48N4O6716.8644199999982100
3715822

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C43H48N4O6/c1-3-24-51-42(50)44-26-32-8-7-9-36(25-32)33-16-18-35(19-17-33)40-52-38(30(2)39(53-40)34-14-12-31(28-48)13-15-34)27-46-22-20-43(21-23-46)41(49)45-29-47(43)37-10-5-4-6-11-37/h3-19,25,30,38-40,48H,1,20-24,26-29H2,2H3,(H,44,50)(H,45,49)
C43H48N4O6716.8644199999982100
5071182

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C43H48N4O6/c48-26-31-11-14-36(53-31)38-32-12-13-33-37(42(51)46(40(33)49)29-15-19-44(20-16-29)24-27-7-3-1-4-8-27)34(32)23-35-39(38)43(52)47(41(35)50)30-17-21-45(22-18-30)25-28-9-5-2-6-10-28/h1-12,14,29-30,33-35,37-39,48H,13,15-26H2/t33-,34+,35+,37-,38+,39+/m0/s1
C43H48N4O6716.86442100
5119011

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-24-51-42(50)44-26-32-8-7-9-36(25-32)33-16-18-35(19-17-33)40-52-38(30(2)39(53-40)34-14-12-31(28-48)13-15-34)27-46-22-20-43(21-23-46)41(49)45-29-47(43)37-10-5-4-6-11-37/h3-19,25,30,38-40,48H,1,20-24,26-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m0/s1
C43H48N4O6716.86442100
5119034

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-25-51-42(50)44-26-35-9-7-8-12-37(35)32-17-19-34(20-18-32)40-52-38(30(2)39(53-40)33-15-13-31(28-48)14-16-33)27-46-23-21-43(22-24-46)41(49)45-29-47(43)36-10-5-4-6-11-36/h3-20,30,38-40,48H,1,21-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m0/s1
C43H48N4O6716.86442100
5119057

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-23-51-42(50)44-26-32-9-7-10-34(24-32)35-11-8-12-36(25-35)40-52-38(30(2)39(53-40)33-17-15-31(28-48)16-18-33)27-46-21-19-43(20-22-46)41(49)45-29-47(43)37-13-5-4-6-14-37/h3-18,24-25,30,38-40,48H,1,19-23,26-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m0/s1
C43H48N4O6716.86442100
5124757

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-24-51-42(50)44-26-32-8-7-9-36(25-32)33-16-18-35(19-17-33)40-52-38(30(2)39(53-40)34-14-12-31(28-48)13-15-34)27-46-22-20-43(21-23-46)41(49)45-29-47(43)37-10-5-4-6-11-37/h3-19,25,30,38-40,48H,1,20-24,26-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m1/s1
C43H48N4O6716.86442100
5124780

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-25-51-42(50)44-26-35-9-7-8-12-37(35)32-17-19-34(20-18-32)40-52-38(30(2)39(53-40)33-15-13-31(28-48)14-16-33)27-46-23-21-43(22-24-46)41(49)45-29-47(43)36-10-5-4-6-11-36/h3-20,30,38-40,48H,1,21-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m1/s1
C43H48N4O6716.86442100
5124803

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H48N4O6/c1-3-23-51-42(50)44-26-32-9-7-10-34(24-32)35-11-8-12-36(25-35)40-52-38(30(2)39(53-40)33-17-15-31(28-48)16-18-33)27-46-21-19-43(20-22-46)41(49)45-29-47(43)37-13-5-4-6-14-37/h3-18,24-25,30,38-40,48H,1,19-23,26-29H2,2H3,(H,44,50)(H,45,49)/t30-,38+,39+,40+/m1/s1
C43H48N4O6716.86442100
8875369

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H48N4O6/c1-10-28-25(5)40-39(26-12-14-27(51-7)15-13-26)41-43(6,11-2)42(50)36(47-41)21-32-24(4)30(17-19-38(49)53-9)35(45-32)22-34-29(16-18-37(48)52-8)23(3)31(44-34)20-33(28)46-40/h12-15,20-22,44-45H,10-11,16-19H2,1-9H3/b31-20-,32-21-,33-20-,34-22-,35-22-,36-21-,40-39-,41-39-
C43H48N4O6716.86442100
12

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