Matches any text strings used to describe a molecule.
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 4 results

Search term: MVCDIAGKFJFPBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391646

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-1/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;
C35H34MgN4O5614.9732599999991300
7827513

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p+1/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;
C35H36MgN4O5616.9881100
24785714

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-2/b24-12?,25-12?,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;/rC35H34MgN4O5/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(42)43)30-15-31-35(32(41)16-34(44)45-7)20(6)27-14-29-22(9-2)18(4)26-13-28(21)37(24)36(38(26)29,39(25)30)40(27)31/h8-9,12-15,32,41H,1-2,10-11,16H2,3-7H3,(H,42,43)/p-1
C35H33MgN4O5613.965321100
34999899

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;/rC35H34MgN4O5/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(42)43)30-15-31-35(32(41)16-34(44)45-7)20(6)27-14-29-22(9-2)18(4)26-13-28(21)37(24)36(38(26)29,39(25)30)40(27)31/h8-9,12-15,32,41H,1-2,10-11,16H2,3-7H3,(H,42,43)/p-1
C35H33MgN4O5613.96591100

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