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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 19 results

Search term: OSJPGOJPRNTSHP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444126

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24+,25+,26-,27+/m0/s1
C27H32N2O8512.55158161100
115042599

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+
C27H32N2O8512.55166500
21429417

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19-,20+,21-,22+,24+,25+,26-,27+/m0/s1
C27H32N2O8512.55165400
554737

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3
C27H32N2O8512.55165400
10219369

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24?,25+,26-,27+/m0/s1
C27H32N2O8512.55164400
4952877

Double-bond stereo

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16?,17?,18-,19?,20+,21-,22-,24?,25-,26-,27?/m1/s1
C27H32N2O8512.55162100
58829823

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16+,17+,18-,19?,20-,21+,22-,24-,25-,26+,27?/m1/s1
C27H32N2O8512.55162100
71060555

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16-,17-,18+,19?,20+,21-,22+,24+,25+,26-,27+/m0/s1
C27H32N2O8512.55162200
78361710

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16+,17+,18-,19?,20-,21+,22-,24?,25-,26+,27-/m1/s1
C27H32N2O8512.55161100
95533465

Double-bond stereo

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16-,17?,18?,19?,20?,21?,22?,24?,25?,26?,27+/m0/s1
C27H32N2O8512.55161100
111307070

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3-/t13-,16+,17+,18-,19?,20-,21+,22-,24?,25-,26+,27-/m1/s1
C27H32N2O8512.55161100
112362850

Double-bond stereo

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3-/t13-,16+,17+,18-,19?,20-,21+,22-,24?,25-,26+,27?/m1/s1
C27H32N2O8512.55161100
113611126

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/t13-,16+,17+,18-,19?,20-,21+,22+,24+,25-,26-,27-/m1/s1
C27H32N2O8512.55161100
114813825

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24-,25+,26-,27-/m0/s1
C27H32N2O8512.55161100
115015722

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24+,25+,26-,27-/m0/s1
C27H32N2O8512.55161100
24534727

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16?,17-,18+,19?,20+,21-,22+,24?,25+,26-,27+/m0/s1
C27H32N2O8512.55161100
127383242

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/t13-,16+,17+,18-,19+,20-,21+,22+,24+,25-,26+,27-/m1/s1
C27H32N2O8512.55161100

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