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: VHXSXLGCRWLSBA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2693308

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4S/c13-9(14)7-2-1-3-12(5-7)17(15,16)8-4-10-6-11-8/h4,6-7H,1-3,5H2,(H,10,11)(H,13,14)
C9H13N3O4S259.28222453400
32798137

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13N3O4S/c13-9(14)7-2-1-3-12(5-7)17(15,16)8-4-10-6-11-8/h4,6-7H,1-3,5H2,(H,10,11)(H,13,14)/t7-/m0/s1
C9H13N3O4S259.28224300
32798138

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13N3O4S/c13-9(14)7-2-1-3-12(5-7)17(15,16)8-4-10-6-11-8/h4,6-7H,1-3,5H2,(H,10,11)(H,13,14)/t7-/m1/s1
C9H13N3O4S259.28224300
2693307

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13N3O4S/c13-9(14)7-2-1-3-12(5-7)17(15,16)8-4-10-6-11-8/h4,6-7H,1-3,5H2,(H,10,11)(H,13,14)/p-1
C9H12N3O4S258.274281100

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