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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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Isotopically Labeled
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Found 8 results

Search term: C39H77NO3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28639047

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
C39H77NO3608.03363400
58170154

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C39H77NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-22-21-23-26-29-32-36(3)5-2/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t36?,37-,38+/m0/s1
C39H77NO3608.03363400
9448490

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,37-38,41-42H,3-31,33,35-36H2,1-2H3,(H,40,43)/b34-32+/t37-,38+/m0/s1
C39H77NO3608.03363200
10474223

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77NO3/c1-4-5-6-7-8-9-17-21-24-27-30-33-38(42)37(35-41)40-39(43)34-31-28-25-22-19-16-14-12-10-11-13-15-18-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
C39H77NO3608.03362200
102729004
InChI=1/C39H77NO3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(36-39(42)43-35-33-37(3)4)38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3
C39H77NO3608.03361100
113381105

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-14-12-10-8-6-4-2/h32,34,37-38,41-42H,3-31,33,35-36H2,1-2H3,(H,40,43)/b34-32+/t37-,38+/m0/s1
C39H77NO3608.03361100
113381175

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h32,34,37-38,41-42H,3-31,33,35-36H2,1-2H3,(H,40,43)/b34-32+/t37-,38+/m0/s1
C39H77NO3608.03361100
128530438

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(43)40-37(36-41)38(42)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,37-38,41-42H,3-31,33,35-36H2,1-2H3,(H,40,43)
C39H77NO3608.03361100

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