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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
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Found 57 results

Search term: C38H40N2O7 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
392743

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32-,33-,34+,35+,36-/m1/s1
C38H40N2O7636.7334131200
321828

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1
C38H40N2O7636.733411900
390693

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1
C38H40N2O7636.73349800
432884

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3
C38H40N2O7636.73347600
4116754
InChI=1/C38H40N2O7/c41-35(23-25-37(43)45-27-7-13-29-9-3-1-4-10-29)39-31-15-19-33(20-16-31)47-34-21-17-32(18-22-34)40-36(42)24-26-38(44)46-28-8-14-30-11-5-2-6-12-30/h1-6,9-12,15-22H,7-8,13-14,23-28H2,(H,39,41)(H,40,42)
C38H40N2O7636.7333999999987400
17462010

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1
C38H40N2O7636.73346400
8779487

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H40N2O7/c1-24-8-4-6-10-29(24)36(30-11-7-5-9-25(30)2)39-34(41)22-40-21-31(27-14-17-32-33(20-27)47-23-46-32)35(38(42)43)37(40)26-12-15-28(16-13-26)45-19-18-44-3/h4-17,20,31,35-37H,18-19,21-23H2,1-3H3,(H,39,41)(H,42,43)/t31-,35-,37+/m1/s1
C38H40N2O7636.73345400
2709022

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3
C38H40N2O7636.7333999999985400
250929

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C38H40N2O7/c1-39-12-10-24-18-30(41-3)31-20-27(24)28(39)14-22-6-8-26(9-7-22)46-34-17-23(16-33-36(34)45-21-44-33)15-29-35-25(11-13-40(29)2)19-32(42-4)37(43-5)38(35)47-31/h6-9,16-20,28-29H,10-15,21H2,1-5H3
C38H40N2O7636.73345500
8803216

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H40N2O7/c1-39-12-10-22-16-30(42-2)33-19-27(22)28(39)14-21-6-8-25(9-7-21)46-32-17-23-15-29-34-26(11-13-40(29)20-24(23)18-31(32)43-3)35(41)37(44-4)38(45-5)36(34)47-33/h6-9,16-19,28-29,41H,10-15,20H2,1-5H3/t28-,29-/m0/s1
C38H40N2O7636.73344312
8162142

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H40N2O7/c1-39-12-10-24-18-30(41-3)31-20-27(24)28(39)14-22-6-8-26(9-7-22)46-34-17-23(16-33-36(34)45-21-44-33)15-29-35-25(11-13-40(29)2)19-32(42-4)37(43-5)38(35)47-31/h6-9,16-20,28-29H,10-15,21H2,1-5H3/t28-,29-/m0/s1
C38H40N2O7636.73344300
26330230

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32+,33+,34-,35-,36-/m1/s1
C38H40N2O7636.73344400
23222893

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31+,32-,33-,34?,35?,36-/m1/s1
C38H40N2O7636.73343300
23340786

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H40N2O7/c1-39-9-7-23-15-25(19-27-33(23)29(39)17-21-3-5-31(41)37(43)35(21)27)46-13-11-45-12-14-47-26-16-24-8-10-40(2)30-18-22-4-6-32(42)38(44)36(22)28(20-26)34(24)30/h3-6,15-16,19-20,29-30,41-44H,7-14,17-18H2,1-2H3/t29-,30-/m1/s1
C38H40N2O7636.73343300
167137

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H40N2O7/c1-39-14-12-24-19-32(43-4)36-37-33(24)28(39)17-22-6-9-27(10-7-22)46-38-34-25(20-31(42-3)35(38)44-5)13-15-40(2,41)29(34)18-23-8-11-30(47-37)26(16-23)21-45-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-,40+/m1/s1
C38H40N2O7636.73343200
321832

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C38H40N2O7/c1-39-12-10-24-18-30(41-3)31-20-27(24)28(39)14-22-6-8-26(9-7-22)46-34-17-23(16-33-36(34)45-21-44-33)15-29-35-25(11-13-40(29)2)19-32(42-4)37(43-5)38(35)47-31/h6-9,16-20,28-29H,10-15,21H2,1-5H3/t28?,29-/m0/s1
C38H40N2O7636.73342200
2280339

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H40N2O7/c1-26(41)30-13-17-33(18-14-30)46-24-37(44)39-32(21-28-9-5-3-6-10-28)23-36(43)35(22-29-11-7-4-8-12-29)40-38(45)25-47-34-19-15-31(16-20-34)27(2)42/h3-20,32,35-36,43H,21-25H2,1-2H3,(H,39,44)(H,40,45)/t32-,35-,36+/m0/s1
C38H40N2O7636.7333999999982200
9083624

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C38H40N2O7/c1-36(2,3)47-35(44)39-23-37(25-41,24-40-33(42)31-17-11-12-18-32(31)34(40)43)26-46-38(27-13-7-5-8-14-27,28-15-9-6-10-16-28)29-19-21-30(45-4)22-20-29/h5-22,41H,23-26H2,1-4H3,(H,39,44)
C38H40N2O7636.73342100
8434025

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H40N2O7/c1-3-37(25-29-17-9-5-10-18-29,39-35(43)45-27-31-21-13-7-14-22-31)33(41)47-34(42)38(4-2,26-30-19-11-6-12-20-30)40-36(44)46-28-32-23-15-8-16-24-32/h5-24H,3-4,25-28H2,1-2H3,(H,39,43)(H,40,44)/t37-,38-/m1/s1
C38H40N2O7636.73342100
8547340

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32+,33-,34+,35+,36-/m1/s1
C38H40N2O7636.73342100
123

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