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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 28 results

Search term: C30H59NO3 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446675

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
C30H59NO3481.79436445000
9629341

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+
C30H59NO3481.7944131600
9423688

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C30H59NO3/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-25-29(33)28(26-32)31-30(34)27(23-9-6-3)24-21-11-8-5-2/h22,25,27-29,32-33H,4-21,23-24,26H2,1-3H3,(H,31,34)/b25-22+
C30H59NO3481.79444200
31150447

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m1/s1
C30H59NO3481.79443400
23177744

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H59NO3/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-28(31-29(32)25-22-11-8-5-2)27-34-30(33)26-23-12-9-6-3/h28H,4-27H2,1-3H3,(H,31,32)
C30H59NO3481.79442200
98645430

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(34)31-28(27-32)29(33)25-23-21-19-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
C30H59NO3481.79442200
102727561

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H59NO3/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-31(29(32)27(3)4)28(30(33)34)25-23-21-12-10-8-6-2/h27-28H,5-26H2,1-4H3,(H,33,34)
C30H59NO3481.79441100
102729829
InChI=1/C30H59NO3/c1-4-7-9-11-13-14-15-16-17-18-19-20-22-24-26-31(25-23-21-12-10-8-5-2)28-29(32)27-30(33)34-6-3/h4-28H2,1-3H3
C30H59NO3481.79441100
102730236

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H59NO3/c1-4-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(29(32)25-6-3)28(30(33)34)26-23-21-12-10-8-5-2/h28H,4-27H2,1-3H3,(H,33,34)
C30H59NO3481.79441100
102740583
InChI=1/C30H59NO3/c1-5-7-9-11-13-14-15-16-17-18-20-22-25-31(27-30(33)34-26-24-28(3)4)29(32)23-21-19-12-10-8-6-2/h28H,5-27H2,1-4H3
C30H59NO3481.79441100
108632301

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H59NO3/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-26-28(32)31(30(3,4)5)27(29(33)34)25-23-21-13-11-9-7-2/h27H,6-26H2,1-5H3,(H,33,34)
C30H59NO3481.79441100
111308016

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-18-14-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
C30H59NO3481.79441100
123960348

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(34)31-28(27-32)29(33)25-23-21-19-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)
C30H59NO3481.79441100
29753285
InChI=1/C30H59NO3/c1-4-7-10-13-14-15-18-23-28-34-30(33)25-20-19-24-29(32)31(26-21-16-11-8-5-2)27-22-17-12-9-6-3/h4-28H2,1-3H3
C30H59NO3481.79441200
29753317
InChI=1/C30H59NO3/c1-4-7-10-13-14-15-16-17-20-23-28-34-30(33)25-24-29(32)31(26-21-18-11-8-5-2)27-22-19-12-9-6-3/h4-28H2,1-3H3
C30H59NO3481.79441200
29754753
InChI=1/C30H59NO3/c1-4-7-10-13-16-18-21-26-31(27-22-19-17-14-11-8-5-2)29(32)24-25-30(33)34-28-23-20-15-12-9-6-3/h4-28H2,1-3H3
C30H59NO3481.79441200
29762560
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-31-29(32)25-24-26-30(33)34-28-23-21-19-17-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,32)
C30H59NO3481.79441200
30661517

InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)31-27-28-34-30(33)26-24-22-20-17-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,32)
C30H59NO3481.79441600
68026286

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28?,29-/m0/s1
C30H59NO3481.79441100
12

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