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: XZXCGRFGEVXWIT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8306774

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
C14H22O4254.3221754100
19172843

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3
C14H22O4254.322110600
48061737

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m0/s1
C14H22O4254.322191600
8010596

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12-,13+/m0/s1
C14H22O4254.32215300
60960199

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13+/m1/s1
C14H22O4254.32213300
58783425

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m0/s1/i4D2,5D2,10D
C14H17D5O4259.35292200
76920352

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11?,12-,13-/m0/s1
C14H22O4254.32211100

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