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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 34 results

Search term: PLTGBUPHJAKFMA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23343337

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.663181200
71061321

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11+,18-12+/t16-,19-,20-,24-,26+,27+,28-/m0/s1
C30H42N2O8558.66317700
29272079

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16?,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.66316500
81423857

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11-,18-12-/t16-,19-,20-,24-,26+,27+,28-/m0/s1
C30H42N2O8558.66315400
23014392

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11+,18-12+/t16-,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.66315300
9061484

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11-,18-12+/t16-,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.66315500
84400511

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11+,18-12+/t16-,19-,20-,24-,26?,27+,28-/m0/s1
C30H42N2O8558.66314400
44211343

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11-,18-12-/t16-,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.66314300
58134727

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11-,18-12+/t16-,19-,20-,24-,26+,27+,28+/m0/s1
C30H42N2O8558.66313300
82963483

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19+,20-,24+,26-,27+,28-/m0/s1
C30H42N2O8558.66313300
10470430

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+
C30H42N2O8558.66313300
4940912

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11-,18-12+/t16-,19+,20-,24?,26?,27+,28-/m0/s1
C30H42N2O8558.66313300
8568428

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11-,18-12+/t16-,19+,20-,24+,26+,27-,28+/m0/s1
C30H42N2O8558.66312100
383316

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)
C30H42N2O8558.66312100
4585363

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11-,18-12+
C30H42N2O8558.66312200
4724977

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9+,17-11+,18-12+
C30H42N2O8558.66312200
21250907

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19+,20-,24?,26?,27+,28-/m0/s1
C30H42N2O8558.66312200
28494477

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12-
C30H42N2O8558.66312200
65321675

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19+,20-,24+,26?,27+,28-/m0/s1
C30H42N2O8558.66312200
12

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