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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
Additional Filters

Found 16 results

Search term: C42H71N3O31 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8346172

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(25(57)18(72-41)9-66-40-31(63)29(61)23(55)14(5-47)69-40)75-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37?,38+,39+,40+,41+,42-/m1/s1
C42H71N3O311114.01464300
111290

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C42H71N3O31/c1-11(52)43-14(4-46)23(56)34(15(55)5-47)73-42-33(66)37(76-39-22(45-13(3)54)28(61)36(19(9-51)71-39)75-41-32(65)30(63)25(58)17(7-49)69-41)26(59)20(72-42)10-67-38-21(44-12(2)53)27(60)35(18(8-50)70-38)74-40-31(64)29(62)24(57)16(6-48)68-40/h4,14-42,47-51,55-66H,5-10H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t14-,15+,16+,17+,18+,19+,20?,21+,22+,23+,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,35?,36+,37-,38+,39-,40-,41-,42-/m0/s1
C42H71N3O311114.01463300
8209739

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-34(23(56)14(5-47)66-37(19)65)74-41-30(63)27(60)32(17(8-50)70-41)72-39-21(45-12(3)54)36(25(58)16(7-49)68-39)76-42-31(64)28(61)33(18(9-51)71-42)73-38-20(44-11(2)53)35(24(57)15(6-48)67-38)75-40-29(62)26(59)22(55)13(4-46)69-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462100
8323927

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(75-40-31(63)29(61)23(55)14(5-47)69-40)25(57)18(72-41)9-66-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37?,38+,39+,40-,41-,42+/m1/s1
C42H71N3O311114.01462100
8394769

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-33(23(56)14(5-47)66-37(19)64)75-42-29(62)27(60)31(18(9-51)71-42)73-39-20(44-11(2)53)34(24(57)15(6-48)68-39)72-36-30(63)32(17(8-50)67-38(36)65)74-40-21(45-12(3)54)35(25(58)16(7-49)69-40)76-41-28(61)26(59)22(55)13(4-46)70-41/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,38?,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462100
8410938

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-29(61)33(17(8-50)67-37(19)65)73-40-32(64)34(74-42-36(31(63)25(57)16(7-49)71-42)76-39-21(45-12(3)53)28(60)23(55)14(5-47)69-39)26(58)18(72-40)9-66-41-35(30(62)24(56)15(6-48)70-41)75-38-20(44-11(2)52)27(59)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36+,37?,38+,39+,40+,41+,42-/m1/s1
C42H71N3O311114.01462100
8416163

27 of 30 defined stereocentres - 27/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-34(23(56)14(5-47)66-37(19)65)74-41-30(63)27(60)32(17(8-50)70-41)72-39-21(45-12(3)54)36(25(58)16(7-49)68-39)76-42-31(64)28(61)33(18(9-51)71-42)73-38-20(44-11(2)53)35(24(57)15(6-48)67-38)75-40-29(62)26(59)22(55)13(4-46)69-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37?,38+,39+,40+,41?,42+/m1/s1
C42H71N3O311114.01462100
26332736

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-25(58)32(16(7-49)66-37(19)65)73-41-30(63)35(23(56)14(5-47)68-41)75-39-21(45-12(3)54)27(60)34(18(9-51)71-39)74-42-31(64)36(24(57)15(6-48)69-42)76-38-20(44-11(2)53)26(59)33(17(8-50)70-38)72-40-29(62)28(61)22(55)13(4-46)67-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,36+,37?,38+,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462300
28533418

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-25(58)32(16(7-49)66-37(19)65)72-38-20(44-11(2)53)26(59)34(18(9-51)70-38)74-41-31(64)35(24(57)15(6-48)68-41)75-42-36(29(62)23(56)14(5-47)69-42)76-39-21(45-12(3)54)27(60)33(17(8-50)71-39)73-40-30(63)28(61)22(55)13(4-46)67-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37?,38+,39+,40+,41+,42-/m1/s1
C42H71N3O311114.01462300
28533419

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-25(57)33(15(6-48)67-37(19)65)73-38-20(44-11(2)52)26(58)35(16(7-49)70-38)75-41-32(64)29(61)24(56)18(72-41)9-66-42-36(30(62)23(55)14(5-47)69-42)76-39-21(45-12(3)53)27(59)34(17(8-50)71-39)74-40-31(63)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37?,38+,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462300
28533421

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-25(57)33(15(6-48)67-37(19)65)75-42-32(64)36(76-39-21(45-12(3)53)27(59)35(17(8-50)71-39)74-41-31(63)29(61)23(55)14(5-47)69-41)24(56)18(72-42)9-66-38-20(44-11(2)52)26(58)34(16(7-49)70-38)73-40-30(62)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34-,35-,36+,37?,38-,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462300
28533493

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-25(58)32(16(7-49)66-37(19)65)73-41-30(63)35(23(56)14(5-47)68-41)75-39-21(45-12(3)54)27(60)34(18(9-51)71-39)74-42-31(64)36(24(57)15(6-48)69-42)76-38-20(44-11(2)53)26(59)33(17(8-50)70-38)72-40-29(62)28(61)22(55)13(4-46)67-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462300
58145785

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-26(58)33(16(7-49)71-38(19)66-9-18-25(57)35(21(37(65)67-18)45-12(3)53)75-41-31(63)29(61)23(55)14(5-47)69-41)74-42-32(64)36(24(56)15(6-48)70-42)76-39-20(44-11(2)52)27(59)34(17(8-50)72-39)73-40-30(62)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,31-,32-,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+/m1/s1
C42H71N3O311114.01462300
128920031

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(52)43-19-25(58)32(16(7-49)66-37(19)65)72-38-20(44-11(2)53)26(59)34(18(9-51)70-38)74-41-31(64)35(24(57)15(6-48)68-41)75-42-36(29(62)23(56)14(5-47)69-42)76-39-21(45-12(3)54)27(60)33(17(8-50)71-39)73-40-30(63)28(61)22(55)13(4-46)67-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-/m1/s1
C42H71N3O311114.01461100
128920056

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(25(57)18(72-41)9-66-40-31(63)29(61)23(55)14(5-47)69-40)75-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-/m1/s1
C42H71N3O311114.01461100
24606125

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C42H71N3O31/c1-10(51)43-19-27(59)33(16(7-49)67-37(19)65)73-39-21(45-12(3)53)28(60)34(17(8-50)71-39)74-41-32(64)35(75-40-31(63)29(61)23(55)14(5-47)69-40)25(57)18(72-41)9-66-42-36(30(62)24(56)15(6-48)70-42)76-38-20(44-11(2)52)26(58)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41+,42+/m1/s1
C42H71N3O311114.01461600

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