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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 29 results

Search term: C33H53NO8 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34990494

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.7758222100
117023

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.7758212000
17466465

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17+,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.77589500
17466611

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31-,32+,33-/m0/s1
C33H53NO8591.77589500
17459992

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17+,18+,19+,20?,21?,22+,23-,24+,26+,27-,28+,29-,30+,31?,32+,33-/m0/s1
C33H53NO8591.77587200
3054997

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3
C33H53NO8591.7758199999987600
30783501

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.77586500
77494423

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H53NO8/c1-25(2)34(19-30(35)23-41-32-11-7-28(8-12-32)21-37-15-17-39-26(3)4)20-31(36)24-42-33-13-9-29(10-14-33)22-38-16-18-40-27(5)6/h7-14,25-27,30-31,35-36H,15-24H2,1-6H3
C33H53NO8591.77584800
23196246
InChI=1/C33H53NO8/c1-25-30(36)29(35)10-11-34(25)12-14-39-16-18-41-20-22-42-21-19-40-17-15-38-13-8-9-26-23-27(32(2,3)4)31(37)28(24-26)33(5,6)7/h10-11,23-24,36-37H,8-9,12-22H2,1-7H3
C33H53NO8591.77583200
4884794

13 of 17 defined stereocentres - 13/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18?,19?,20-,21-,22+,23?,24?,26+,27+,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.77582200
9072508

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C33H53NO8/c1-31-7-6-27-25(19-29(35)33-20-23(33)5-8-32(27,33)2)26(31)3-4-28(31)30(36)34-21-24-22-41-16-15-39-12-11-37-9-10-38-13-14-40-17-18-42-24/h4,23-27,29,35H,3,5-22H2,1-2H3,(H,34,36)/t23-,24?,25+,26+,27+,29+,31+,32-,33-/m1/s1
C33H53NO8591.77582100
9344388

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C33H53NO8/c1-17(2)9-8-10-20(30(39)40)26-21-11-12-24-31(5)14-13-22(36)18(3)27(31)28(42-25(37)16-34)29(38)33(24,7)32(21,6)15-23(26)41-19(4)35/h17-18,21-24,27-29,36,38H,8-16,34H2,1-7H3,(H,39,40)/b26-20-
C33H53NO8591.77582100
9596848

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H53NO8/c1-9-10-11-20(4)31(42-33(34)39)23(7)28-17-26(40-28)15-18(2)14-21(5)29(36)19(3)12-13-25(35)16-27-22(6)30(37)24(8)32(38)41-27/h9-14,19-31,35-37H,1,15-17H2,2-8H3,(H2,34,39)/b11-10-,13-12-,18-14-/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28+,29-,30-,31-/m0/s1
C33H53NO8591.77582100
9932857

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H53NO8/c1-9-11-24(34(7)8)19-25-13-14-26(39-25)20(3)32(38-23(6)35)21(4)27-15-16-28(40-27)22(5)33(37)42-30-17-18-31(36)41-29(30)12-10-2/h10,12,17-18,20-22,24-30,32H,9,11,13-16,19H2,1-8H3/b12-10+/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,32+/m1/s1
C33H53NO8591.77582100
82965737

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m1/s1
C33H53NO8591.77582100
114544946

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m1/s1
C33H53NO8591.77582200
58913210

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27+,28+,29-,30+,31+,32+,33+/m0/s1
C33H53NO8591.77582200
114814484

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18-,19+,20+,21+,22-,23-,24+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
C33H53NO8591.77581100
19983315

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27+,28+,29-,30+,31+,32+,33-/m0/s1
C33H53NO8591.77581100
12

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