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: LJMQAXFNQNADRZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
398148

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m1/s1
C8H11N3O4S245.2556161500
2338965

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m0/s1
C8H11N3O4S245.25564162100
34984105

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16+/m0/s1
C8H11N3O4S245.2556121600
34986409

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16-/m0/s1
C8H11N3O4S245.25564500
8118502

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)
C8H11N3O4S245.25563300
107442245

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m0/s1/i8+1,10+1,11+1
C713CH11N15N2O4S248.23512200

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