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: CUCQDDZYZNBQFE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4958165

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)/b17-5-/t6-,10-/m1/s1
C12H10ClN5O5S2403.82136500
7831878

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)/b17-5+/t6-,10-/m1/s1
C12H10ClN5O5S2403.82133300
20154191

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)/b17-5-/t6?,10-/m1/s1
C12H10ClN5O5S2403.82131100
64882904

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)/b17-5+
C12H10ClN5O5S2403.82131100
68025312

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)/b17-5+/t6?,10-/m1/s1
C12H10ClN5O5S2403.82131100
123960270

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H10ClN5O5S2/c13-3-1-24-10-6(9(20)18(10)7(3)11(21)22)16-8(19)5(17-23)4-2-25-12(14)15-4/h2,6,10,23H,1H2,(H2,14,15)(H,16,19)(H,21,22)
C12H10ClN5O5S2403.82131100

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