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: SFFMYDBKYYBJRY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
154810

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
C18H31N3O4353.4564171700
19159879

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)
C18H31N3O4353.45646400
8558894

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15-/m0/s1
C18H31N3O4353.45644300
8745654

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1/i1D,11D,13D/t11?,13-,15+
C18H28D3N3O4356.47492100
8769823

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15-/m0/s1/i1D,11D,13D/t11?,13-,15-
C18H28D3N3O4356.47492100
8936263

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15-/m0/s1/i1T,11T,13T/t11?,13-,15-
C18H28T3N3O4359.48082200
9967494

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1/i1T,11T,13T/t11?,13-,15+
C18H28T3N3O4359.48082200
7974415

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15-/m1/s1
C18H31N3O4353.45642100
68024391

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13?,15-/m0/s1
C18H31N3O4353.45641100

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