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: PBHFNBQPZCRWQP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
167225

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
C20H23N3O2337.41556372576
9424375

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1
C20H23N3O2337.4155232300
532649

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)
C20H23N3O2337.4155205100
8081484

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18?,20-/m0/s1
C20H23N3O2337.41556400
8512615

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18?,20-/m1/s1
C20H23N3O2337.41555400
82827079

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1/i4D,5D,6D,7D,8D
C20H18D5N3O2342.44634700
107447623

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1/i4D,5D,6D,7D,8D
C20H18D5N3O2342.44632200
114816024

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20-/m0/s1
C20H23N3O2337.41552200
10039735

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/p+1/t18-,20+/m1/s1
C20H24N3O2338.42291100

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