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: YXUBHIRQBSIPFE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
174067

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3
C20H31NO3333.465281800
1267727

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3/t20-/m1/s1
C20H31NO3333.4652100
1477166

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3/t20-/m0/s1
C20H31NO3333.4652100
1477165

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3/p+1/t20-/m0/s1
C20H32NO3334.47241100
1267726

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3/p+1/t20-/m1/s1
C20H32NO3334.47241100

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