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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 37 results

Search term: C22H43N5O13 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34635

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
C22H43N5O13585.602596160595745
2057

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)
C22H43N5O13585.602511384700
2301087

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-21-14(32)11(26)12(30)10(5-28)38-21)17(35)19(7)40-22-16(34)15(33)13(31)9(4-24)37-22/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9-,10-,11+,12-,13-,14-,15+,16-,17-,18+,19-,21-,22-/m1/s1
C22H43N5O13585.6025199999988800
7828136

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
C22H43N5O13585.60257600
21112547

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8?,9+,10+,11-,12+,13-,14+,15-,16+,17-,18?,19+,21+,22+/m0/s1
C22H43N5O13585.602552594042
4642400

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9+,10+,11-,12+,13+,14?,15-,16+,17-,18+,19-,21+,22+/m0/s1
C22H43N5O13585.60255400
4890949

1 of 16 defined stereocentres - 1/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6?,7?,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,21?,22?/m0/s1
C22H43N5O13585.60255300
117209

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H43N5O13/c23-2-1-3-36-22(35)27-8-4-7(25)18(39-21-16(33)15(32)13(30)9(5-24)37-21)17(34)19(8)40-20-14(31)11(26)12(29)10(6-28)38-20/h7-21,28-34H,1-6,23-26H2,(H,27,35)/t7-,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
C22H43N5O13585.60254400
22875011

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21-,22+/m0/s1
C22H43N5O13585.60254100
8137955

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8?,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
C22H43N5O13585.60254500
24539928

13 of 16 defined stereocentres - 13/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8?,9+,10?,11-,12+,13-,14+,15-,16+,17+,18?,19+,21+,22+/m0/s1
C22H43N5O13585.60253100
5036827

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9+,10+,11-,12-,13-,14+,15-,16+,17-,18-,19-,21-,22-/m1/s1
C22H43N5O13585.60253300
2312161

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(30)20(36)27-7-3-6(24)18(39-21-12(26)15(33)14(32)10(5-29)37-21)17(35)19(7)40-22-16(34)11(25)13(31)9(4-28)38-22/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)
C22H43N5O13585.6025199999983300
401877

1 of 16 defined stereocentres - 1/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6?,7?,8-,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,21?,22?/m1/s1
C22H43N5O13585.60252500
402017

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8?,9+,10+,11-,12+,13+,14+,15-,16+,17-,18?,19-,21+,22+/m0/s1
C22H43N5O13585.60252700
58131910

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15-,16-,17-,18+,19+,21+,22+/m0/s1
C22H43N5O13585.60252200
58910214

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-4-9-13(31)15(33)16(34)22(37-9)40-19-7(25)3-6(24)18(17(19)35)39-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9-,10-,11+,12-,13-,14-,15+,16-,17-,18+,19-,21-,22-/m1/s1
C22H43N5O13585.60252200
8135655

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21?,22?/m0/s1
C22H43N5O13585.60252100
8636364

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-11-12(30)10(5-28)38-21(14(11)32)39-18-6(25)3-7(26)19(17(18)35)40-22-16(34)15(33)13(31)9(4-24)37-22/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9-,10+,11-,12+,13-,14+,15+,16-,17-,18+,19-,21+,22-/m0/s1
C22H43N5O13585.60252100
8615665

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-21-14(32)11(26)12(30)10(5-28)38-21)17(35)19(7)40-22-16(34)15(33)13(31)9(4-24)37-22/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8+,9-,10+,11-,12+,13-,14+,15+,16-,17-,18+,19-,21?,22-/m1/s1
C22H43N5O13585.60251100
12

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