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 11 results

Search term: MBXJCHZRHROMQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20145049

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21-/m0/s1
C21H26N2O3354.44276700
8242264

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21+/m1/s1
C21H26N2O3354.44275500
58816284

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3+/t17-,21-/m0/s1
C21H26N2O3354.44274300
65321853

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17?,21-/m0/s1
C21H26N2O3354.44273300
391600

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/t17-,21-/m0/s1
C21H26N2O3354.44273300
3688098

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3
C21H26N2O3354.442743200
74068079

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-
C21H26N2O3354.44272200
76963383

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/p+1/b14-3-/t17-,21-/m0/s1
C21H27N2O3355.45012300
128911252

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3+
C21H26N2O3354.44271100

Advertisement