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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 6 results

Search term: C43H85NO3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7826144

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1
C43H85NO3664.1399111300
27024504

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H85NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-25-22-19-17-18-21-24-27-30-33-36-40(2)3/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t41-,42+/m0/s1
C43H85NO3664.13993300
28639055

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H85NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-25-23-24-27-30-33-36-40(2)3/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t41-,42+/m0/s1
C43H85NO3664.13993400
58170159

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C43H85NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-43(47)44-41(39-45)42(46)37-34-31-28-26-25-27-30-33-36-40(3)5-2/h34,37,40-42,45-46H,4-33,35-36,38-39H2,1-3H3,(H,44,47)/b37-34+/t40?,41-,42+/m0/s1
C43H85NO3664.13993400
27024507

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C43H85NO3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-34-38-43(47)44-41(39-45)42(46)37-33-30-32-36-40(3)35-31-28-26-11-9-7-5-2/h33,37,40-42,45-46H,4-32,34-36,38-39H2,1-3H3,(H,44,47)/b37-33+
C43H85NO3664.13992200

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