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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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Single/Multi-component
Isotopically Labeled
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Found 9 results

Search term: C35H52N10O9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
147080

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)/t22-,23-,24-,25-,26-,27-/m0/s1
C35H52N10O9756.849322900
3432979

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)
C35H52N10O9756.8489799999997700
9609044

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H52N10O9/c1-19(41-32(50)25-8-6-14-38-25)29(47)40-20(2)30(48)44-27(15-22-9-11-24(46)12-10-22)34(52)43-26(7-4-5-13-36)33(51)42-21(3)31(49)45-28(35(53)54)16-23-17-37-18-39-23/h9-12,17-21,25-28,38,46H,4-8,13-16,36H2,1-3H3,(H,37,39)(H,40,47)(H,41,50)(H,42,51)(H,43,52)(H,44,48)(H,45,49)(H,53,54)/t19-,20-,21-,25-,26-,27-,28-/m0/s1
C35H52N10O9756.8492100
28581989

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C35H52N10O9/c1-18(2)11-24(32(51)39-16-28(47)48)42-30(49)20(5)41-35(54)29(19(3)4)45-34(53)25(12-21-9-7-6-8-10-21)44-33(52)26(14-27(37)46)43-31(50)23(36)13-22-15-38-17-40-22/h6-10,15,17-20,23-26,29H,11-14,16,36H2,1-5H3,(H2,37,46)(H,38,40)(H,39,51)(H,41,54)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,47,48)
C35H52N10O9756.8492100
57555882

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H52N10O9/c1-18(2)11-24(32(51)39-16-28(47)48)42-30(49)20(5)41-35(54)29(19(3)4)45-34(53)25(12-21-9-7-6-8-10-21)44-33(52)26(14-27(37)46)43-31(50)23(36)13-22-15-38-17-40-22/h6-10,15,17-20,23-26,29H,11-14,16,36H2,1-5H3,(H2,37,46)(H,38,40)(H,39,51)(H,41,54)(H,42,49)(H,43,50)(H,44,52)(H,45,53)(H,47,48)/t20-,23-,24-,25-,26-,29-/m0/s1
C35H52N10O9756.8492200
101060305

Double-bond stereo
InChI=1/C35H52N10O9/c1-35(2,3)53-29(46)12-16-49-18-20-51-22-23-52-21-19-50-17-13-37-33(47)27-10-8-26(9-11-27)24-38-40-34(48)30-28(25-44-14-6-4-5-7-15-44)45(43-39-30)32-31(36)41-54-42-32/h8-11,24H,4-7,12-23,25H2,1-3H3,(H2,36,41)(H,37,47)(H,40,48)/b38-24-
C35H52N10O9756.8491100
113607789

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)/t22-,23-,24-,25+,26+,27+/m0/s1
C35H52N10O9756.8491100
128926317

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)/t22-,23-,24-,25-,26-,27+/m0/s1
C35H52N10O9756.8491100

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