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 5 results

Search term: XUGNKMKHMDSCKB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2251991

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3
C12H19NOS225.35036221400
728928

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m0/s1
C12H19NOS225.35043200
728929

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m1/s1
C12H19NOS225.35043200
5641611

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/p+1/t11-/m0/s1
C12H20NOS226.35781100
5641612

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H19NOS/c1-3-11(9-14)13-8-10-4-6-12(15-2)7-5-10/h4-7,11,13-14H,3,8-9H2,1-2H3/p+1/t11-/m1/s1
C12H20NOS226.35781100

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