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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 26 results

Search term: C21H41N7O12 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388489

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
C21H41N7O12583.589954136290
17461019

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,21+/m0/s1
C21H41N7O12583.589912700
5034807

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
C21H41N7O12583.589911700
21342188

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(18(37-5)40-17-9(26-2)13(34)10(31)6(3-29)38-17)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12-,13+,14-,15-,16+,17+,18+,21+/m1/s1
C21H41N7O12583.589910900
17466891

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12+,13-,14+,15+,16-,17-,18-,21+/m0/s1
C21H41N7O12583.58999500
17517911

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7+,8-,9-,10-,11+,12+,13+,14+,15-,16?,17-,18+,21?/m0/s1
C21H41N7O12583.58999600
2961

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)
C21H41N7O12583.5899873700
4932460

6 of 15 defined stereocentres - 6/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6?,7?,8-,9?,10-,11?,12-,13?,14?,15?,16?,17-,18-,21?/m0/s1
C21H41N7O12583.58995300
23932538

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7+,8-,9-,10-,11+,12+,13+,14+,15-,16?,17-,18+,21+/m0/s1
C21H41N7O12583.58995500
29136

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16-,17-,18-,21+/m0/s1
C21H41N7O12583.58994400
32696548

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17-,18-,21+/m1/s1
C21H41N7O12583.58994300
4642427

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5?,6?,7-,8+,9+,10?,11-,12+,13?,14-,15-,16?,17?,18+,21-/m1/s1
C21H41N7O12583.58993200
5036610

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8-,9-,10+,11+,12-,13+,14-,15-,16-,17-,18+,21+/m0/s1
C21H41N7O12583.58993300
27472955

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18-,21-/m1/s1
C21H41N7O12583.58992100
23158264

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17-,18+,21+/m0/s1
C21H41N7O12583.58992200
23868536

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,21-/m1/s1
C21H41N7O12583.58992100
2975553

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C21H41N7O12/c1-5-21(35,36-3)16(18(37-5)40-17-9(26-2)13(33)10(30)6(4-29)38-17)39-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,4H2,1-3H3,(H4,22,23,27)(H4,24,25,28)
C21H41N7O12583.5899399999982100
4159902

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(18(37-5)40-17-9(26-2)13(34)10(31)6(3-29)38-17)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)
C21H41N7O12583.5899399999982100
71081522

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15+,16?,17+,18-,21+/m1/s1
C21H41N7O12583.58992200
2301058

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-19,26-27,29,31-36H,3,22-23H2,1-2H3,(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
C21H41N7O12583.5899399999981100
12

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