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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 25 results

Search term: C42H76NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29368491

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,38-39H,3-11,13,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,19-17-,20-18-/t38-,39+/m1/s1
C42H76NO10P786.0273101100
35032462

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-/t38-,39+/m1/s1
C42H76NO10P786.0273101000
35032478

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38-39H,3-5,7,9-11,13,15-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b8-6-,14-12-,20-18-/t38-,39+/m1/s1
C42H76NO10P786.0273101000
35032489

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-39H,3-10,12,14-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,19-17-,20-18-/t38-,39+/m1/s1
C42H76NO10P786.0273101000
35032498

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,38-39H,3-4,6,8-10,12,14-16,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b7-5-,13-11-,19-17-/t38-,39+/m1/s1
C42H76NO10P786.0273101000
35032507

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,18-17-,22-20-/t38-,39+/m1/s1
C42H76NO10P786.0273101000
74875804

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,38-39H,3-10,12,15,19-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-/t38-,39+/m1/s1
C42H76NO10P786.02734400
74875817

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,38-39H,3-11,13,15-17,19,21-23,25,27-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,20-18-,26-24-/t38-,39+/m1/s1
C42H76NO10P786.02734400
74875761

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-14-12-10-8-6-4-2/h10-13,16-17,38-39H,3-9,14-15,18-37,43H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,13-11-,17-16-/t38-,39+/m1/s1
C42H76NO10P786.02734400
74875891

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,38-39H,3-10,12,14-16,18,20-22,24,26-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,19-17-,25-23-/t38-,39+/m1/s1
C42H76NO10P786.02734400
74876014

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,38-39H,3-10,12,15,19-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,18-17-/t38-,39+/m1/s1
C42H76NO10P786.02734400
74876205

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,38-39H,3-9,14-15,18-37,43H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,13-11-,17-16-/t38-,39+/m1/s1
C42H76NO10P786.02734400
7826031

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,38-39H,3-11,13,15-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,19-17-,20-18-/t38?,39-/m0/s1
C42H76NO10P786.02733300
74876039

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,20,22,25,27,38-39H,3-16,19,21,23-24,26,28-37,43H2,1-2H3,(H,46,47)(H,48,49)/b18-17-,22-20-,27-25-/t38-,39+/m1/s1
C42H76NO10P786.02733300
74875791

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,20,22,26,28,38-39H,3-16,19,21,23-25,27,29-37,43H2,1-2H3,(H,46,47)(H,48,49)/b18-17-,22-20-,28-26-/t38-,39+/m1/s1
C42H76NO10P786.02733300
74875832

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,38-39H,3-11,16-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b14-12-,15-13-,20-18-/t38-,39+/m1/s1
C42H76NO10P786.02733300
74875869

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,38-39H,3-10,12,15,18,20-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,16-14-,19-17-/t38-,39+/m1/s1
C42H76NO10P786.02733300
59696598

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,38-39H,3-10,12,14-16,19,21,23-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11+,18-17+,22-20+/t38-,39+/m1/s1
C42H76NO10P786.02731100
113376252

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18-20,38-39H,3-9,11,13-15,17,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,18-16-,20-19-/t38-,39+/m1/s1
C42H76NO10P786.02731100
113376355

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h10,12,16,18-20,38-39H,3-9,11,13-15,17,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,18-16-,20-19-/t38-,39+/m1/s1
C42H76NO10P786.02731100
12

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