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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 10 results

Search term: BMUDPLZKKRQECS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28534108

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;
C34H33FeN4O5633.4946161900
16736140

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H33FeN4O5/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(42)43)32-16-28-23(9-11-33(40)41)18(4)26(37-28)14-31-22(8-2)19(5)30(15-27(21)36-25)38(31)35(44)39(29)32/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C34H33FeN4O5633.49461420884172
21169881

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H33FeN4O5/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(40)41)28(37-25)16-32-24(10-12-34(42)43)20(6)30(15-27(21)36-26)39(32)35(44)38(29)31/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b25-13-,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C34H33FeN4O5633.49468600
72379728

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13+,26-13-,27-14-,28-15-,29-14-,30-15?,31-16-,32-16+;;/rC34H33FeN4O5/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(42)43)32-16-28-23(9-11-33(40)41)18(4)26(37-28)14-31-22(8-2)19(5)30(15-27(21)36-25)38(31)35(44)39(29)32/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b25-13+,26-14-,27-15-,28-16+,29-13-,30-15-,31-14?,32-16-
C34H33FeN4O5633.49463200
58954346

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13+,27-14-,28-15-,29-14-,30-15-,31-16+,32-16-;;/rC34H33FeN4O5/c1-7-21-17(3)26-14-31-22(8-2)19(5)29-13-25-18(4)23(9-11-33(40)41)28(37-25)16-32-24(10-12-34(42)43)20(6)30(15-27(21)36-26)39(32)35(44)38(29)31/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b25-13+,26-14-,27-15-,28-16+,29-13-,30-15-,31-14-,32-16-
C34H33FeN4O5633.49462200
21250555

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H34N4O4.FeHO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2H/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
C34H33FeN4O5633.49462200
26666415

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13+,26-13+,27-14+,28-15+,29-14+,30-15+,31-16+,32-16+;;
C34H33FeN4O5633.49462700
21436069

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H33FeN4O5/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(44,37(27)30,38(26)31)39(28)32/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)
C34H33FeN4O5633.49461100
114951736

Charge

Double-bond stereo
InChI=1/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+3;/p-3/b25-13?,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/rC34H33FeN4O5/c1-7-21-17(3)25-13-29-20(6)24(10-12-34(42)43)32-16-28-23(9-11-33(40)41)18(4)26(37-28)14-31-22(8-2)19(5)30(15-27(21)36-25)38(31)35(44)39(29)32/h7-8,13-16,44H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b25-13?,26-14-,27-15-,28-16-,29-13-,30-15-,31-14-,32-16-
C34H33FeN4O5633.49461100

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