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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 11 results

Search term: C42H83NO4 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31144532

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-41,44-46H,3-33,35,37-38H2,1-2H3,(H,43,47)/b36-34+/t39-,40+,41+/m0/s1
C42H83NO4666.1127121200
34987051

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-41,44-46H,3-33,35,37-38H2,1-2H3,(H,43,47)/b36-34+/t39-,40+,41-/m0/s1
C42H83NO4666.1127111000
9860866

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(47)43-40(38-44)41(46)37-36-39(45)34-32-30-28-26-14-12-10-8-6-4-2/h36-37,39-41,44-46H,3-35,38H2,1-2H3,(H,43,47)/b37-36+/t39-,40+,41-/m1/s1
C42H83NO4666.11276600
30786074

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-41,44-46H,3-33,35,37-38H2,1-2H3,(H,43,47)/b36-34+/t39-,40+,41?/m0/s1
C42H83NO4666.11275800
9942223

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)42(46)43-38(37-44)41-40(47-41)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h38-41,44-45H,3-37H2,1-2H3,(H,43,46)/t38?,39?,40-,41+/m1/s1
C42H83NO4666.11273200
27024510

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C42H83NO4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-31-36-41(46)42(47)43-39(37-44)40(45)35-32-28-30-34-38(3)33-29-26-24-11-9-7-5-2/h32,35,38-41,44-46H,4-31,33-34,36-37H2,1-3H3,(H,43,47)/b35-32+
C42H83NO4666.11273300
28639056

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H83NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-41(46)42(47)43-39(37-44)40(45)35-32-29-26-24-21-22-25-28-31-34-38(2)3/h32,35,38-41,44-46H,4-31,33-34,36-37H2,1-3H3,(H,43,47)/b35-32+/t39-,40+,41?/m0/s1
C42H83NO4666.11273400
58865046
InChI=1/C42H83NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23-28-33-38-43(39-34-29-24-19-16-21-26-31-36-41(44)46-2)40-35-30-25-20-17-22-27-32-37-42(45)47-3/h4-40H2,1-3H3
C42H83NO4666.11272200
9214808

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+
C42H83NO4666.11272100
9810797

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-41,44-46H,3-33,35,37-38H2,1-2H3,(H,43,47)/b36-34+
C42H83NO4666.11272100
113381250

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-39(45)37-42(47)43-40(38-44)41(46)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h34,36,39-41,44-46H,3-33,35,37-38H2,1-2H3,(H,43,47)/b36-34+/t39-,40+,41-/m1/s1
C42H83NO4666.11271100

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