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 6 results

Search term: JIHNXPGNCSRXCP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4977357

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22+,23-,28+,29+/m0/s1
C34H44BrN3O7686.63315400
28500029

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29-/m0/s1
C34H44BrN3O7686.63313300
347784

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/t20-,21-,22-,23-,28+,29-/m0/s1
C34H44BrN3O7686.63312100
3038263

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)
C34H44BrN3O7686.6330599999982100
4580225

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1
C34H44BrN3O7686.63312400
4752579

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13-
C34H44BrN3O7686.63312200

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