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: ZPJFEPYHOXPFOC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7851363

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N5O8S2/c1-12(2,10(20)21)25-16-7(6-4-26-11(13)15-6)8(18)14-5-3-17(9(5)19)27(22,23)24/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,18)(H,20,21)(H,22,23,24)/b16-7-/t5-/m0/s1
C12H15N5O8S2421.40625500
8157236

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15N5O8S2/c1-12(2,10(20)21)25-16-7(6-4-26-11(13)15-6)8(18)14-5-3-17(9(5)19)27(22,23)24/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,18)(H,20,21)(H,22,23,24)/b16-7-
C12H15N5O8S2421.40623300
18553265

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N5O8S2/c1-12(2,10(20)21)25-16-7(6-4-26-11(13)15-6)8(18)14-5-3-17(9(5)19)27(22,23)24/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,18)(H,20,21)(H,22,23,24)/b16-7+/t5-/m0/s1
C12H15N5O8S2421.40622200
123247161

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15N5O8S2/c1-12(2,10(20)21)25-16-7(6-4-26-11(13)15-6)8(18)14-5-3-17(9(5)19)27(22,23)24/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,18)(H,20,21)(H,22,23,24)/b16-7+
C12H15N5O8S2421.40621100

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