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
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Found 7 results

Search term: KYHUBFIOWQTECH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
75726

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8-,11-/m0/s1
C12H21N5O4S331.3912171300
8125040

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)
C12H21N5O4S331.39124100
62314928

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8+,11-/m0/s1
C12H21N5O4S331.39122200
62314929

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8+,11+/m1/s1
C12H21N5O4S331.39122200
62314930

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8-,11+/m1/s1
C12H21N5O4S331.39122200
62573877

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8-,11+/m0/s1
C12H21N5O4S331.39122200
13079842

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H21N5O4S/c13-21-5-10(19)17-16-9(18)4-2-1-3-8-11-7(6-22-8)14-12(20)15-11/h7-8,11H,1-6,13H2,(H,16,18)(H,17,19)(H2,14,15,20)/t7-,8?,11-/m0/s1
C12H21N5O4S331.39121100

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