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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 29 results

Search term: C36H69NO3 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446676

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
C36H69NO3563.937959999998323400
29367855

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17+,31-29+/t34-,35?/m0/s1
C36H69NO3563.9388800
24765766

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,29,31,34-35,38-39H,3-12,14,16-28,30,32-33H2,1-2H3,(H,37,40)/b15-13-,31-29+/t34-,35+/m0/s1
C36H69NO3563.9388800
9664729

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+
C36H69NO3563.9385400
8658404

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h25,27,29,31,34-35,38-39H,3-24,26,28,30,32-33H2,1-2H3,(H,37,40)/b27-25+,31-29+/t34-,35+/m0/s1
C36H69NO3563.9385400
57494756

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H69NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h23,27,34H,3-22,24-26,28-33H2,1-2H3,(H2,37,38)/b27-23+
C36H69NO3563.9383400
76962853

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h8,10,29,31,34-35,38-39H,3-7,9,11-28,30,32-33H2,1-2H3,(H,37,40)/b10-8-,31-29+/t34-,35+/m0/s1
C36H69NO3563.9383400
95612352

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-40-36(39)32-31-35(37)38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32,34H,3-30,33H2,1-2H3,(H2,37,38)/b32-31+
C36H69NO3563.9382400
95723999

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-12-10-8-6-4-2/h10,12,29,31,34-35,38-39H,3-9,11,13-28,30,32-33H2,1-2H3,(H,37,40)/b12-10+,31-29u
C36H69NO3563.9382300
59697034

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17+,31-29+/t34-,35+/m0/s1
C36H69NO3563.9382200
28684427

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-12-10-8-6-4-2/h10,12,29,31,34-35,38-39H,3-9,11,13-28,30,32-33H2,1-2H3,(H,37,40)
C36H69NO3563.9382100
28706249

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H69NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h23,27,34H,3-22,24-26,28-33H2,1-2H3,(H2,37,38)
C36H69NO3563.9382100
57519103

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-12-10-8-6-4-2/h10,12,29,31,34-35,38-39H,3-9,11,13-28,30,32-33H2,1-2H3,(H,37,40)/b12-10+,31-29+
C36H69NO3563.9382200
9505440

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C36H69NO3/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-35(39)34(32-38)37-36(40)31-27-24-21-18-15-14-16-19-22-25-29-33(3)28-5-2/h13,17,26,30,33-35,38-39H,4-12,14-16,18-25,27-29,31-32H2,1-3H3,(H,37,40)/b17-13+,30-26+/t33?,34-,35+/m0/s1
C36H69NO3563.9382100
8091551

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,34-35,38-39H,3-10,12,14-16,19-33H2,1-2H3,(H,37,40)/b13-11+,18-17+
C36H69NO3563.9382100
8478696

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C36H69NO3/c1-5-7-9-11-13-14-15-16-17-19-21-26-30-35(39)36(40)37-34(31-38)33(4)29-25-22-24-28-32(3)27-23-20-18-12-10-8-6-2/h25,28-29,33-35,38-39H,5-24,26-27,30-31H2,1-4H3,(H,37,40)/b29-25+,32-28+/t33-,34+,35-/m0/s1
C36H69NO3563.9382100
57540671

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(33-40-36(39)32-31-35(37)38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32,34H,3-30,33H2,1-2H3,(H2,37,38)
C36H69NO3563.9381100
113381107

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,29,31,34-35,38-39H,3-15,18-28,30,32-33H2,1-2H3,(H,37,40)/b17-16-,31-29+/t34-,35+/m0/s1
C36H69NO3563.9381100
113381119

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h25,27,29,31,34-35,38-39H,3-24,26,28,30,32-33H2,1-2H3,(H,37,40)/b27-25+,31-29+/t34-,35+/m0/s1
C36H69NO3563.9381100
95696412

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H69NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h23,27,34H,3-22,24-26,28-33H2,1-2H3,(H2,37,38)/b27-23-
C36H69NO3563.9381100
12

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