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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 13 results

Search term: XSWPXBWSKQRBRZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26331983

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)27-14-28-22(8-10-32(42)43)16(2)24-12-29-34(20(6)45)18(4)26-13-30-33(19(5)44)17(3)25-11-23(15)36(27)35(37(24)28,38(25)30)39(26)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)
C34H36FeN4O4S2684.6493300
65321666

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20-;/m0./s1
C34H36FeN4O4S2684.6493300
392105

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;
C34H36FeN4O4S2684.6490399999992600
61708839

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20-;/m0./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-11-24-17(3)33(19(5)44)26(37-24)14-28-18(4)34(20(6)45)30(12-23(15)36-25)39(28)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-12-,24-11-,25-13-,26-14-,27-11-,28-14-,29-13-,30-12-/t19-,20-/m0/s1
C34H36FeN4O4S2684.649259900
61709350

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20-;/m0./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-14-26-33(19(5)44)17(3)24(37-26)12-30-34(20(6)45)18(4)28(11-23(15)36-25)39(30)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-11-,24-12-,25-13-,26-14-,27-14-,28-11-,29-13-,30-12-/t19-,20-/m0/s1
C34H36FeN4O4S2684.649212300
61709369

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20+;/m1./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-11-24-17(3)33(19(5)44)26(37-24)14-28-18(4)34(20(6)45)30(12-23(15)36-25)39(28)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-12-,24-11-,25-13-,26-14-,27-11-,28-14-,29-13-,30-12-/t19-,20+/m1/s1
C34H36FeN4O4S2684.6492600
61711497

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20+;/m0./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-14-26-33(19(5)44)17(3)24(37-26)12-30-34(20(6)45)18(4)28(11-23(15)36-25)39(30)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-11-,24-12-,25-13-,26-14-,27-14-,28-11-,29-13-,30-12-/t19-,20+/m1/s1
C34H36FeN4O4S2684.6492400
61714217

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20+;/m0./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-11-24-17(3)33(19(5)44)26(37-24)14-28-18(4)34(20(6)45)30(12-23(15)36-25)39(28)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-12-,24-11-,25-13-,26-14-,27-11-,28-14-,29-13-,30-12-/t19-,20+/m0/s1
C34H36FeN4O4S2684.6492500
61714491

Charge

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19?,20-;/m0./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-14-26-33(19(5)44)17(3)24(37-26)12-30-34(20(6)45)18(4)28(11-23(15)36-25)39(30)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-11-,24-12-,25-13-,26-14-,27-14-,28-11-,29-13-,30-12-/t19-,20?/m0/s1
C34H36FeN4O4S2684.6492200
61715822

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20-;/m1./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-11-24-17(3)33(19(5)44)26(37-24)14-28-18(4)34(20(6)45)30(12-23(15)36-25)39(28)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-12-,24-11-,25-13-,26-14-,27-11-,28-14-,29-13-,30-12-/t19-,20-/m1/s1
C34H36FeN4O4S2684.6492200
61716160

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19-,20+;/m1./s1/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-14-26-33(19(5)44)17(3)24(37-26)12-30-34(20(6)45)18(4)28(11-23(15)36-25)39(30)35-38(27)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/b23-11-,24-12-,25-13-,26-14-,27-14-,28-11-,29-13-,30-12-/t19-,20+/m0/s1
C34H36FeN4O4S2684.6492200
4593412

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-1/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;
C34H37FeN4O4S2685.65641100
26332337

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-4/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/rC34H36FeN4O4S2/c1-15-21(7-9-31(40)41)27-14-28-22(8-10-32(42)43)16(2)24-12-29-34(20(6)45)18(4)26-13-30-33(19(5)44)17(3)25-11-23(15)36(27)35(37(24)28,38(25)30)39(26)29/h11-14,19-20,44-45H,7-10H2,1-6H3,(H,40,41)(H,42,43)/p-2
C34H34FeN4O4S2682.63431100

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