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: WZMFNIVNLYRDDE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
50472

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/b20-7+/t9-,10?,16?,18-/m1/s1
C18H23N5O5389.40574600
4590800

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/b20-7+/t9-,10+,16+,18-/m1/s1
C18H23N5O5389.40573200
23092875

Charge

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/p+1/t9?,10?,16?,18-/m1/s1
C18H24N5O5390.41311100
23152405

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/b20-7+/t9?,10?,16?,18-/m1/s1
C18H23N5O5389.40571100
81367915

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/t9-,10+,16+,18-/m1/s1
C18H23N5O5389.40571100
164428

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H23N5O5/c1-8-12(20-7-22(2)3)15(25)11-9(6-28-17(19)26)18(27-4)16-10(21-16)5-23(18)13(11)14(8)24/h7,9-10,16,21H,5-6H2,1-4H3,(H2,19,26)/p+1/b20-7+/t9-,10+,16+,18-/m1/s1
C18H24N5O5390.413661100

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