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: XPQRTZDIRPPNBW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2206911

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H30N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)
C25H30N2O3406.5173221900
1030538

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H30N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)/t21-,22+/m0/s1
C25H30N2O3406.51732200
1030539

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H30N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)/t21-,22-/m0/s1
C25H30N2O3406.51732200
1030540

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H30N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)/t21-,22+/m1/s1
C25H30N2O3406.51732200
1618560

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H30N2O3/c28-24(21-13-7-8-14-22(21)25(29)30)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-23H,7-8,13-18H2,(H,29,30)/t21-,22-/m1/s1
C25H30N2O3406.51732200

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