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 9 results

Search term: NTVLUSJWJRSPSM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946742

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1
C21H22N2O3350.411191501
4531839

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1
C21H22N2O3350.411171400
4474560

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19?/m0/s1
C21H22N2O3350.4118600
64883655

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+
C21H22N2O3350.4113200
77407283

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/t16-,19-/m0/s1
C21H22N2O3350.4113300
129308640

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/t16-,19?/m0/s1
C21H22N2O3350.4112200
3449337

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3
C21H22N2O3350.410982100
30650615

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19?/m0/s1
C21H22N2O3350.4111100

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